Top PDF The cocrystal μ oxalato κ4O1,O2:O1′,O2′ bis­­(aqua­(nitrato κO){[1 (2 pyridyl κN)eth­yl­idene]hydrazine κN}copper(II)) μ oxalato κ4O1,O2:O1′,O2′ bis­­((methanol κO)(nitrato κO){[1 (2 pyridyl κN)eth­yl­idene]hydrazine κN}copper(II)) (1/1)

The cocrystal μ oxalato κ4O1,O2:O1′,O2′ bis­­(aqua­(nitrato κO){[1 (2 pyridyl κN)eth­yl­idene]hydrazine κN}copper(II)) μ oxalato κ4O1,O2:O1′,O2′ bis­­((methanol κO)(nitrato κO){[1 (2 pyridyl κN)eth­yl­idene]hydrazine κN}copper(II)) (1/1)

The cocrystal μ oxalato κ4O1,O2:O1′,O2′ bis­­(aqua­(nitrato κO){[1 (2 pyridyl κN)eth­yl­idene]hydrazine κN}copper(II)) μ oxalato κ4O1,O2:O1′,O2′ bis­­((methanol κO)(nitrato κO){[1 (2 pyridyl κN)eth­yl­idene]hydrazine κN}copper(II)) (1/1)

et al <i\>., 2007; Du et al <i\>., 2007). The basal bond angles O–Cu–O and N–Cu–N are less then 90° [N1–Cu1–N2 = 80.63 (18) ° and N5–Cu2–N6 = 81.50 (17) °; O1–Cu1–O2 = 84.01 (13) ° and O7–Cu2–O8 = 85.09 (17) °] whereas the O–Cu–N angles are largely superior to 90° [N1–Cu1–O2 = 98.76 (16) ° and N2–Cu1–O1 =95.46 (16) ° in A; N5–Cu2– O8 = 95.29 (15) ° and N6–Cu2–O7 =97.93 (15) ° in B]. The axial bonds angles O(water)–Cu1–O—NO 2 and

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μ Oxalato κ4O1,O2:O1′,O2′ bis­­[aqua­(di­ethyl­enetri­amine κ3N)­nickel(II)] bis­­(tetra­phenyl­borate)

μ Oxalato κ4O1,O2:O1′,O2′ bis­­[aqua­(di­ethyl­enetri­amine κ3N)­nickel(II)] bis­­(tetra­phenyl­borate)

el(II) complex cation in which the oxalate ligand bridges the Ni atoms in a bis-bidentate fashion. The distorted octahedral environment of each Ni atom is completed by the three N atoms of the diethylenetriamine ligand in a fac arrangement, and by one O atom from a water molecule. Tetraphenylborate acts as the counter-anion. The crystal structure shows alternate cationic and anionic layers packed along the [101] direction.

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μ Oxalato κ4O1,O2:O1′,O2′ bis­­[aqua­(2,2′ bi­pyridyl κ2N,N′)copper(II)] bis­­(hydrogen squarate)

μ Oxalato κ4O1,O2:O1′,O2′ bis­­[aqua­(2,2′ bi­pyridyl κ2N,N′)copper(II)] bis­­(hydrogen squarate)

C14 0.0325 (16) 0.0232 (15) 0.0291 (15) 0.0084 (13) 0.0057 (13) 0.0049 (12) C39 0.060 (2) 0.0401 (19) 0.0400 (19) 0.0134 (17) 0.0189 (17) 0.0039 (16) C34 0.0435 (19) 0.0319 (17) 0.0377 (17) 0.0076 (15) 0.0113 (15) 0.0028 (14) C35 0.0392 (18) 0.0300 (16) 0.0353 (17) 0.0103 (14) 0.0074 (14) 0.0033 (13) C38 0.0499 (19) 0.0357 (18) 0.0363 (17) 0.0051 (16) 0.0152 (15) 0.0027 (14) C30 0.074 (2) 0.051 (2) 0.0324 (18) 0.0177 (19) 0.0008 (17) −0.0110 (16) C8 0.0356 (18) 0.047 (2) 0.049 (2) 0.0081 (15) 0.0152 (15) 0.0186 (17) C22 0.049 (2) 0.0426 (19) 0.0416 (19) −0.0023 (16) 0.0080 (16) −0.0041 (16) C13 0.0316 (16) 0.0293 (15) 0.0211 (14) 0.0072 (13) 0.0032 (12) 0.0022 (12) Cu1 0.0355 (2) 0.0338 (2) 0.0270 (2) 0.00095 (17) 0.01112 (16) −0.00281 (16) Cu2 0.0445 (2) 0.0348 (2) 0.0263 (2) −0.00346 (18) 0.01315 (17) −0.00237 (17) N32 0.0434 (15) 0.0290 (13) 0.0240 (12) 0.0060 (11) 0.0080 (11) 0.0003 (11) N21 0.0365 (14) 0.0341 (14) 0.0318 (13) 0.0052 (12) 0.0120 (11) 0.0023 (11) N12 0.0324 (13) 0.0271 (13) 0.0306 (13) 0.0054 (11) 0.0066 (11) 0.0020 (11) N1 0.0290 (13) 0.0359 (14) 0.0296 (13) 0.0126 (11) 0.0085 (11) 0.0024 (11) O4 0.0451 (12) 0.0323 (11) 0.0249 (10) −0.0008 (9) 0.0127 (9) −0.0029 (9) O3 0.0356 (11) 0.0361 (11) 0.0283 (10) −0.0045 (9) 0.0118 (9) −0.0010 (9) O1 0.0345 (11) 0.0397 (11) 0.0225 (10) 0.0009 (9) 0.0120 (8) −0.0039 (9) O36 0.0429 (13) 0.0322 (11) 0.0370 (12) −0.0012 (10) 0.0124 (10) −0.0047 (10) O35 0.0613 (14) 0.0345 (12) 0.0430 (13) 0.0033 (10) 0.0227 (11) −0.0059 (10) O2 0.0356 (11) 0.0314 (11) 0.0278 (10) 0.0005 (9) 0.0123 (9) −0.0020 (9) O34 0.0750 (17) 0.0327 (12) 0.0725 (16) −0.0079 (12) 0.0343 (14) −0.0034 (12) O37 0.0482 (13) 0.0467 (13) 0.0396 (12) −0.0057 (11) 0.0172 (10) −0.0095 (10) O38 0.098 (2) 0.0419 (13) 0.0493 (15) −0.0199 (13) 0.0406 (14) −0.0093 (12) O39 0.111 (2) 0.0521 (15) 0.0578 (16) −0.0016 (15) 0.0491 (15) −0.0086 (13) O33 0.0592 (14) 0.0470 (13) 0.0398 (13) 0.0040 (11) 0.0216 (11) −0.0087 (11) O40 0.0439 (13) 0.0488 (14) 0.0559 (14) −0.0056 (11) 0.0100 (11) 0.0072 (12) O51 0.0473 (14) 0.0413 (15) 0.0677 (17) 0.0078 (12) −0.0016 (13) −0.0169 (12) O50 0.0667 (18) 0.0347 (13) 0.0530 (15) 0.0093 (13) −0.0159 (12) −0.0043 (13) C27 0.0435 (18) 0.0367 (17) 0.0276 (15) 0.0192 (15) 0.0119 (14) 0.0087 (14) C2 0.0340 (17) 0.0376 (18) 0.0396 (18) 0.0042 (14) 0.0064 (14) −0.0028 (15) C3 0.0415 (19) 0.054 (2) 0.0396 (19) 0.0194 (16) −0.0031 (15) −0.0141 (16) C9 0.041 (2) 0.039 (2) 0.077 (3) 0.0047 (16) 0.0101 (19) 0.0259 (19)
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Bis(μ 3 carb­­oxy 2 oxidobenzoato) κ3O1,O2:O3;κ3O3:O1,O2 bis­­[aqua­(2,2′ bi­pyridine κ2N,N′)copper(II)]

Bis(μ 3 carb­­oxy 2 oxidobenzoato) κ3O1,O2:O3;κ3O3:O1,O2 bis­­[aqua­(2,2′ bi­pyridine κ2N,N′)copper(II)]

Data collection: APEX2 Bruker, 2005; cell refinement: SAINT Bruker, 2005; data reduction: SAINT; programs used to solve structure: SIR97 Altomare et al., 1999; programs used to refine st[r]

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Crystal structure of μ peroxido κ4O1,O2:O1′,O2′ bis­­[(nitrato κO)(2,2′:6′,2′′ terpyridine κ3N,N′,N′′)dioxidouranium(VI)]

Crystal structure of μ peroxido κ4O1,O2:O1′,O2′ bis­­[(nitrato κO)(2,2′:6′,2′′ terpyridine κ3N,N′,N′′)dioxidouranium(VI)]

U1 0.01075 (8) 0.00727 (7) 0.01268 (8) −0.00116 (7) 0.00578 (6) −0.00132 (7) O1 0.0249 (18) 0.0142 (15) 0.0175 (17) 0.0044 (14) 0.0126 (15) 0.0039 (13) O2 0.0163 (16) 0.0199 (15) 0.0080 (16) 0.0007 (14) −0.0011 (13) −0.0061 (13) O3 0.0182 (18) 0.0076 (14) 0.075 (3) 0.0007 (14) 0.028 (2) −0.0085 (17) O4 0.0111 (14) 0.0162 (14) 0.0164 (16) 0.0003 (14) 0.0038 (13) 0.0012 (14) O5 0.0236 (18) 0.0189 (16) 0.023 (2) 0.0019 (15) 0.0024 (16) −0.0031 (15) O6 0.0224 (19) 0.0228 (17) 0.034 (2) 0.0124 (16) 0.0064 (17) −0.0034 (17) N1 0.0164 (18) 0.0082 (16) 0.0143 (19) −0.0006 (15) 0.0076 (16) −0.0001 (14) N2 0.0126 (17) 0.0074 (15) 0.0074 (17) −0.0017 (14) 0.0025 (15) 0.0016 (13) N3 0.0180 (19) 0.0115 (16) 0.0102 (19) 0.0002 (16) 0.0069 (16) 0.0012 (14) N4 0.0161 (18) 0.0158 (17) 0.017 (2) 0.0033 (18) 0.0066 (16) 0.0043 (17) C1 0.018 (2) 0.0094 (18) 0.016 (2) −0.0009 (18) 0.007 (2) 0.0004 (17) C2 0.016 (2) 0.0102 (18) 0.019 (2) 0.0000 (19) 0.0094 (19) 0.0028 (18) C3 0.022 (2) 0.016 (2) 0.014 (2) 0.0001 (19) 0.012 (2) 0.0025 (18) C4 0.018 (2) 0.015 (2) 0.010 (2) 0.0022 (18) 0.0046 (18) 0.0002 (17) C5 0.013 (2) 0.0101 (18) 0.008 (2) 0.0009 (17) 0.0025 (17) 0.0038 (16) C6 0.014 (2) 0.0117 (19) 0.009 (2) 0.0030 (17) 0.0043 (18) 0.0006 (16) C7 0.018 (2) 0.015 (2) 0.013 (2) −0.0036 (19) 0.0064 (19) −0.0046 (17) C8 0.022 (2) 0.014 (2) 0.009 (2) −0.0040 (19) 0.0031 (19) −0.0054 (17) C9 0.016 (2) 0.018 (2) 0.013 (2) −0.0082 (19) 0.0035 (18) −0.0031 (18) C10 0.013 (2) 0.0084 (18) 0.009 (2) −0.0002 (17) 0.0033 (17) −0.0006 (16) C11 0.014 (2) 0.0091 (18) 0.010 (2) 0.0002 (17) 0.0036 (17) 0.0012 (16) C12 0.017 (2) 0.016 (2) 0.019 (3) −0.0022 (19) 0.007 (2) 0.0003 (19)
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μ Oxalato κ2O1,O2:κ2O1′,O2′ bis­­[(3,5 di­carb­oxy­benzoato κ2O1,O1′)(1,10 phenanthroline κ2N,N′)copper(II)]

μ Oxalato κ2O1,O2:κ2O1′,O2′ bis­­[(3,5 di­carb­oxy­benzoato κ2O1,O1′)(1,10 phenanthroline κ2N,N′)copper(II)]

Data collection: PROCESS-AUTO Rigaku, 1998; cell refinement: PROCESS-AUTO; data reduction: PROCESS-AUTO; programs used to solve structure: SHELXTL Bruker 1998; programs used to refine st[r]

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Poly[[di­aqua­bis­­(μ oxalato κ4O1,O2:O1′,O2′)bis­­(μ3 5 oxidopyridin 1 ium 3 carboxyl­ato κ3O3:O3′:O5)diholmium(III)] dihydrate]

Poly[[di­aqua­bis­­(μ oxalato κ4O1,O2:O1′,O2′)bis­­(μ3 5 oxidopyridin 1 ium 3 carboxyl­ato κ3O3:O3′:O5)diholmium(III)] dihydrate]

C1 0.0095 (13) 0.0105 (13) 0.0124 (14) 0.0018 (10) 0.0013 (10) 0.0039 (11) C2 0.0128 (14) 0.0109 (14) 0.0113 (14) 0.0000 (11) 0.0015 (11) 0.0027 (11) C3 0.0087 (14) 0.0118 (14) 0.0147 (14) 0.0008 (10) 0.0034 (11) 0.0046 (11) C4 0.0136 (14) 0.0110 (14) 0.0126 (14) 0.0038 (11) 0.0029 (11) 0.0037 (11) C5 0.0135 (15) 0.0159 (15) 0.0141 (15) −0.0008 (11) 0.0017 (11) 0.0020 (12) C6 0.0149 (15) 0.0161 (15) 0.0143 (15) −0.0008 (12) 0.0039 (11) 0.0020 (12) C7 0.0123 (14) 0.0095 (13) 0.0088 (13) 0.0042 (11) 0.0022 (10) 0.0012 (11) C8 0.0096 (14) 0.0128 (14) 0.0115 (14) 0.0002 (11) 0.0017 (10) 0.0038 (11) Ho1 0.00804 (7) 0.00981 (7) 0.00735 (7) −0.00004 (5) −0.00004 (4) 0.00353 (5) N1 0.0126 (13) 0.0181 (13) 0.0151 (13) −0.0051 (10) 0.0041 (10) 0.0022 (11) O1 0.0163 (11) 0.0151 (11) 0.0127 (10) −0.0024 (8) 0.0061 (8) −0.0002 (9) O2 0.0108 (10) 0.0137 (10) 0.0141 (10) −0.0019 (8) −0.0005 (8) 0.0045 (8) O3 0.0173 (11) 0.0149 (10) 0.0106 (10) 0.0019 (8) 0.0050 (8) 0.0015 (8) O4 0.0108 (10) 0.0185 (11) 0.0109 (10) 0.0007 (8) 0.0001 (8) 0.0069 (8) O5 0.0105 (10) 0.0159 (10) 0.0101 (10) 0.0012 (8) 0.0004 (8) 0.0052 (8) O6 0.0170 (11) 0.0165 (11) 0.0148 (11) −0.0054 (8) −0.0047 (8) 0.0103 (9) O7 0.0108 (10) 0.0189 (11) 0.0115 (10) −0.0019 (8) −0.0010 (8) 0.0086 (8) O8 0.0220 (13) 0.0232 (13) 0.0201 (12) 0.0096 (10) 0.0087 (9) 0.0122 (10) O9 0.056 (2) 0.0259 (15) 0.055 (2) 0.0023 (14) −0.0118 (17) 0.0206 (15)
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Bis(μ 3 nitro­benzene 1,2 di­carboxyl­ato) κ4O1,O2:O1,O1′;κ4O1,O1′:O1,O2 bis­­[tri­aqua­(6 carb­­oxy 2 nitro­benzoato κ2O1,O6)neodymium(III)] dihydrate

Bis(μ 3 nitro­benzene 1,2 di­carboxyl­ato) κ4O1,O2:O1,O1′;κ4O1,O1′:O1,O2 bis­­[tri­aqua­(6 carb­­oxy 2 nitro­benzoato κ2O1,O6)neodymium(III)] dihydrate

N2 0.033 (3) 0.031 (2) 0.032 (3) 0.005 (2) −0.009 (2) −0.002 (2) O1 0.038 (2) 0.045 (2) 0.0184 (19) 0.0203 (17) −0.0029 (15) 0.0049 (17) O2 0.038 (2) 0.046 (2) 0.034 (2) 0.0232 (18) −0.0095 (17) −0.0026 (18) O3 0.0257 (18) 0.0293 (17) 0.0194 (18) 0.0123 (14) 0.0027 (14) 0.0043 (15) O4 0.0310 (19) 0.0286 (18) 0.032 (2) 0.0014 (15) 0.0011 (15) 0.0071 (16) O5 0.040 (2) 0.063 (3) 0.053 (3) 0.025 (2) −0.002 (2) −0.009 (2)

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Poly[[hexa­aqua­(μ2 oxalato κ4O1,O2:O1′,O2′)bis­(μ3 pyridine 2,4 di­carboxyl­ato κ4N,O1:O1′:O4)dicerium(III)] monohydrate]

Poly[[hexa­aqua­(μ2 oxalato κ4O1,O2:O1′,O2′)bis­(μ3 pyridine 2,4 di­carboxyl­ato κ4N,O1:O1′:O4)dicerium(III)] monohydrate]

In the polymeric title compound, {[Ce2C7H3NO42C2O4H2O6]H2O}n, the Ce3+ cation is nine-coordinated in a distorted CeNO8 tricapped trigonal–prismatic geometry, formed by three pyridine-2,4[r]

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μ Oxalato κ4O1,O2:O1′,O2′ bis­­[aqua­(2,2′ bi­pyridine κN)(nitrato κ2O,O′)lead(II)]

μ Oxalato κ4O1,O2:O1′,O2′ bis­­[aqua­(2,2′ bi­pyridine κN)(nitrato κ2O,O′)lead(II)]

Data collection: SMART Bruker, 2003; cell refinement: SAINT Bruker, 2003; data reduction: SAINT; programs used to solve structure: SHELXS97 Sheldrick, 2008; programs used to refine struc[r]

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Crystal structure of μ oxalato κ2O1:O2 bis­­[(di­methyl sulfoxide κO)tri­phenyl­tin(IV)]

Crystal structure of μ oxalato κ2O1:O2 bis­­[(di­methyl sulfoxide κO)tri­phenyl­tin(IV)]

These discrete binuclear molecules interact through van der Waals forces in the crystal, and no strong interactions are observed. The carbonyl groups of the oxalate dianion, C1—O1 and C1 O2, are the unique potential acceptor groups for hydrogen bonding, and indeed, weak intermolecular C— H O contacts are formed (Table 1): two molecules related by a glide plane are oriented almost perpendicular, in such a way that methyl groups of the terminal DMSO ligands in one molecule form C—H O contacts with the oxalate bridge of the other molecule (Fig. 2). These contacts are favoured by the disorder affecting the DMSO ligands, and allow to pack the complexes densely in the crystal, even in the absence of any – contacts between the phenyl rings.
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Poly[di μ aqua di­aqua­bis­­(μ7 oxalato κ9O1:O1:O1,O2:O2:O2′:O2′,O1′:O1′)calciumdicaesium]

Poly[di μ aqua di­aqua­bis­­(μ7 oxalato κ9O1:O1:O1,O2:O2:O2′:O2′,O1′:O1′)calciumdicaesium]

Cs1 0.01329 (9) 0.01645 (10) 0.01254 (9) −0.00098 (4) 0.00792 (7) −0.00063 (4) Ca1 0.0185 (3) 0.0180 (3) 0.0172 (3) 0.000 0.0109 (3) 0.000 C1 0.0101 (8) 0.0146 (9) 0.0100 (9) −0.0015 (6) 0.0060 (7) −0.0013 (6) O1 0.0136 (7) 0.0154 (7) 0.0114 (7) 0.0021 (5) 0.0077 (6) −0.0001 (5) O2 0.0168 (7) 0.0263 (9) 0.0110 (7) 0.0042 (7) 0.0082 (6) 0.0034 (6) C2 0.0111 (8) 0.0115 (8) 0.0113 (8) −0.0003 (7) 0.0068 (7) −0.0013 (6) O4 0.0160 (7) 0.0200 (8) 0.0154 (7) 0.0066 (6) 0.0086 (6) 0.0012 (6) O3 0.0151 (7) 0.0138 (7) 0.0110 (7) 0.0018 (6) 0.0082 (6) 0.0005 (5) O1W 0.0188 (8) 0.0156 (7) 0.0158 (8) −0.0026 (6) 0.0117 (7) −0.0031 (6) O2W 0.0132 (7) 0.0142 (7) 0.0154 (7) −0.0014 (6) 0.0060 (6) 0.0022 (6)
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Bis(tri­methyl­phenyl­ammonium) μ oxalato bis­­[oxidodiperoxido­molybdate(VI)]

Bis(tri­methyl­phenyl­ammonium) μ oxalato bis­­[oxidodiperoxido­molybdate(VI)]

Mo1 0.01690 (9) 0.01264 (9) 0.01686 (9) −0.00015 (4) 0.00347 (6) 0.00104 (4) O1 0.0238 (6) 0.0166 (6) 0.0214 (6) −0.0016 (5) 0.0033 (5) −0.0005 (4) O2 0.0280 (7) 0.0265 (6) 0.0195 (6) −0.0020 (5) −0.0003 (5) −0.0021 (5) O3 0.0313 (8) 0.0228 (7) 0.0218 (7) −0.0015 (5) 0.0106 (6) −0.0004 (4) O4 0.0194 (6) 0.0273 (7) 0.0351 (8) 0.0008 (5) 0.0046 (5) 0.0042 (6) O5 0.0250 (6) 0.0293 (7) 0.0264 (7) 0.0021 (5) 0.0007 (5) 0.0080 (6) O6 0.0195 (6) 0.0141 (5) 0.0250 (6) 0.0007 (4) 0.0079 (5) 0.0004 (4) O7 0.0218 (6) 0.0161 (6) 0.0328 (7) 0.0004 (5) 0.0122 (5) 0.0001 (5) C1 0.0171 (7) 0.0152 (7) 0.0198 (7) 0.0021 (5) 0.0047 (6) 0.0010 (6) N1 0.0242 (7) 0.0187 (7) 0.0170 (6) 0.0050 (5) 0.0059 (5) 0.0003 (5) C2 0.0348 (10) 0.0207 (8) 0.0232 (8) 0.0046 (7) 0.0110 (7) 0.0048 (7) C3 0.0314 (9) 0.0223 (9) 0.0202 (8) 0.0007 (7) −0.0008 (7) −0.0044 (7) C4 0.0319 (9) 0.0300 (10) 0.0227 (8) 0.0127 (8) 0.0127 (7) 0.0034 (7) C5 0.0175 (7) 0.0223 (8) 0.0168 (7) 0.0007 (6) 0.0043 (6) −0.0017 (6) C6 0.0206 (7) 0.0206 (8) 0.0227 (8) 0.0007 (6) 0.0024 (6) −0.0010 (6) C7 0.0248 (8) 0.0215 (9) 0.0368 (10) −0.0017 (7) 0.0081 (7) −0.0035 (8) C8 0.0258 (9) 0.0358 (11) 0.0359 (11) −0.0122 (8) 0.0092 (8) −0.0141 (9) C9 0.0259 (9) 0.0486 (13) 0.0267 (9) −0.0091 (9) −0.0020 (7) −0.0075 (9) C10 0.0215 (9) 0.0393 (10) 0.0214 (8) 0.0023 (8) −0.0007 (7) 0.0020 (8)
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Poly[tetra­aqua­(5 hy­dr­oxy­pyridin 1 ium 3 carboxyl­ato κO3)tris­­(μ oxalato κ4O1,O2:O1′,O2′)dieuropium(III)]

Poly[tetra­aqua­(5 hy­dr­oxy­pyridin 1 ium 3 carboxyl­ato κO3)tris­­(μ oxalato κ4O1,O2:O1′,O2′)dieuropium(III)]

N1 0.0159 (11) 0.0124 (10) 0.0056 (10) −0.0002 (9) 0.0039 (8) 0.0014 (8) O1 0.0162 (9) 0.0119 (8) 0.0077 (9) −0.0008 (7) 0.0031 (7) 0.0027 (6) O2 0.0256 (10) 0.0077 (8) 0.0102 (9) 0.0014 (7) 0.0067 (7) 0.0019 (7) O3 0.0487 (14) 0.0073 (9) 0.0173 (10) 0.0068 (9) 0.0196 (9) 0.0049 (7) O4 0.0101 (9) 0.0144 (9) 0.0126 (9) 0.0033 (7) 0.0047 (7) 0.0052 (7) O5 0.0154 (9) 0.0194 (9) 0.0107 (9) 0.0078 (7) 0.0051 (7) 0.0088 (7) O6 0.0128 (9) 0.0080 (8) 0.0129 (9) 0.0032 (7) 0.0067 (7) 0.0049 (6) O7 0.0170 (9) 0.0095 (8) 0.0131 (9) 0.0045 (7) 0.0096 (7) 0.0047 (7) O8 0.0125 (9) 0.0142 (9) 0.0082 (9) −0.0020 (7) 0.0027 (7) 0.0020 (7) O9 0.0173 (10) 0.0148 (9) 0.0098 (9) −0.0066 (7) 0.0049 (7) 0.0038 (7) O10 0.0118 (9) 0.0165 (9) 0.0123 (10) −0.0015 (8) 0.0031 (7) 0.0016 (8) O11 0.0274 (12) 0.0109 (9) 0.0122 (10) 0.0002 (8) 0.0090 (8) 0.0035 (8)
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Crystal structure and spectroscopic analysis of a new oxalate bridged MnII compound: catena poly[guanidinium [[aqua­chlorido­manganese(II)] μ2 oxalato κ4O1,O2:O1′,O2′] monohydrate]

Crystal structure and spectroscopic analysis of a new oxalate bridged MnII compound: catena poly[guanidinium [[aqua­chlorido­manganese(II)] μ2 oxalato κ4O1,O2:O1′,O2′] monohydrate]

ecule. A bond-valence-sum calculation, assuming Mn—O and Mn—Cl bonds, gives a BVS value (Brown & Altermatt, 1985) of 2.05 (7), confirming the +II oxidation state of Mn and ensuring electrical neutrality of the formed unit. The coordi- nation environment of the Mn II ion involves two oxalate ligands exhibiting bis-chelating coordination modes, one chloride atom and one oxygen atom of the aqua ligand (Fig. 1) in a slightly distorted octahedral geometry. The small bite angles of the bis-chelating oxalate groups [73.99 (6) for O3—

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catena Poly[[bis­­(3 pyridylmethanol κN)copper(II)] μ oxalato 1κ2O1,O2:2κ2O1′,O2′]

catena Poly[[bis­­(3 pyridylmethanol κN)copper(II)] μ oxalato 1κ2O1,O2:2κ2O1′,O2′]

Cu 0.0205 (2) 0.0178 (2) 0.0152 (2) 0.00147 (16) 0.00423 (17) 0.00395 (16) O1 0.0234 (14) 0.0293 (14) 0.0159 (13) −0.0061 (11) 0.0048 (10) 0.0068 (11) O2 0.0253 (14) 0.0243 (13) 0.0167 (13) −0.0031 (11) 0.0013 (11) 0.0051 (10) O3 0.0228 (13) 0.0206 (13) 0.0257 (14) −0.0001 (10) 0.0150 (11) 0.0052 (11) O4 0.0259 (14) 0.0183 (12) 0.0248 (14) 0.0005 (10) 0.0083 (11) 0.0069 (10) O5 0.0348 (16) 0.0441 (17) 0.0278 (15) −0.0005 (13) 0.0043 (13) 0.0177 (13) O6 0.066 (2) 0.0397 (17) 0.0374 (18) 0.0263 (17) 0.0174 (16) 0.0093 (15) N1 0.0234 (16) 0.0220 (15) 0.0193 (16) 0.0039 (12) 0.0018 (13) 0.0036 (12) N2 0.0258 (17) 0.0180 (15) 0.0187 (15) −0.0006 (12) 0.0008 (13) 0.0056 (12) C1 0.0210 (18) 0.0165 (17) 0.0154 (18) 0.0052 (14) 0.0066 (15) 0.0047 (14) C2 0.0170 (17) 0.0219 (18) 0.0157 (18) 0.0031 (14) 0.0067 (14) 0.0041 (14) C11 0.024 (2) 0.032 (2) 0.0206 (19) 0.0034 (16) 0.0010 (16) 0.0064 (16) C12 0.027 (2) 0.047 (2) 0.020 (2) 0.0150 (18) 0.0066 (16) 0.0105 (18) C13 0.052 (3) 0.078 (4) 0.018 (2) −0.002 (3) −0.008 (2) 0.000 (2) C14 0.058 (4) 0.100 (5) 0.040 (3) −0.043 (3) −0.012 (3) 0.014 (3) C15 0.040 (3) 0.055 (3) 0.030 (2) −0.023 (2) −0.004 (2) 0.010 (2) C16 0.041 (3) 0.077 (3) 0.027 (2) 0.021 (2) 0.009 (2) 0.027 (2) C21 0.026 (2) 0.0226 (19) 0.0230 (19) 0.0032 (15) 0.0068 (16) 0.0062 (15) C22 0.031 (2) 0.025 (2) 0.027 (2) 0.0048 (16) −0.0009 (17) 0.0047 (16) C23 0.043 (2) 0.0214 (19) 0.033 (2) 0.0048 (17) −0.0052 (19) 0.0084 (17) C24 0.039 (2) 0.023 (2) 0.028 (2) −0.0044 (17) 0.0068 (18) 0.0112 (17) C25 0.028 (2) 0.028 (2) 0.024 (2) −0.0052 (16) 0.0029 (16) 0.0076 (16) C26 0.042 (3) 0.033 (2) 0.054 (3) 0.014 (2) 0.016 (2) 0.013 (2)
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catena Poly[[(2,2′ bi­pyridine κ2N,N′)nickel(II)] μ oxalato κ4O1,O2:O1′,O2′]

catena Poly[[(2,2′ bi­pyridine κ2N,N′)nickel(II)] μ oxalato κ4O1,O2:O1′,O2′]

Ni1 0.0387 (2) 0.0456 (2) 0.0463 (2) 0.0000 (2) −0.0004 (3) 0.0045 (3) O1 0.042 (2) 0.065 (3) 0.044 (3) −0.012 (2) −0.0101 (19) 0.022 (2) O2 0.0384 (19) 0.052 (2) 0.034 (2) −0.0078 (19) −0.0056 (16) 0.0150 (18) O3 0.039 (2) 0.061 (2) 0.036 (2) 0.0098 (19) −0.0144 (18) −0.0128 (19) O4 0.042 (2) 0.048 (2) 0.035 (2) −0.0017 (18) −0.0036 (17) −0.0095 (18) N1 0.043 (3) 0.045 (3) 0.032 (2) −0.0063 (18) 0.006 (2) −0.0005 (19) N2 0.045 (3) 0.038 (2) 0.036 (3) 0.0049 (19) 0.008 (2) 0.002 (2)

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Crystal structure of catena poly[[[aqua­lithium(I)] μ pyrimidine 2 carboxyl­ato κ4N1,O2:N3,O2′] hemihydrate]

Crystal structure of catena poly[[[aqua­lithium(I)] μ pyrimidine 2 carboxyl­ato κ4N1,O2:N3,O2′] hemihydrate]

O2 0.051 (3) 0.080 (3) 0.047 (2) −0.009 (2) 0.017 (2) −0.002 (2) O11 0.044 (2) 0.085 (3) 0.0309 (19) −0.003 (2) 0.0103 (18) −0.006 (2) O12 0.040 (2) 0.081 (3) 0.0329 (19) −0.001 (2) 0.0146 (17) −0.005 (2) O13 0.055 (3) 0.063 (3) 0.040 (2) 0.002 (2) 0.014 (2) −0.0012 (18) O21 0.040 (2) 0.092 (4) 0.031 (2) −0.005 (2) 0.0123 (18) 0.004 (2) O22 0.043 (2) 0.080 (3) 0.0290 (19) −0.004 (2) 0.0082 (17) 0.0042 (19) O23 0.037 (2) 0.081 (3) 0.0319 (19) 0.001 (2) 0.0114 (18) −0.0022 (19) O31 0.040 (2) 0.080 (3) 0.0360 (19) −0.006 (2) 0.0154 (18) −0.006 (2) O32 0.041 (2) 0.081 (3) 0.0313 (19) 0.003 (2) 0.0094 (17) −0.0048 (19) O33 0.047 (3) 0.063 (3) 0.044 (2) −0.001 (2) 0.013 (2) 0.0030 (19) O41 0.038 (2) 0.071 (3) 0.0282 (19) 0.001 (2) 0.0091 (17) 0.0032 (18) O42 0.038 (2) 0.073 (3) 0.0309 (17) −0.001 (2) 0.0125 (16) 0.0052 (18) O43 0.051 (2) 0.066 (3) 0.040 (2) 0.004 (2) 0.017 (2) 0.0062 (18) N11 0.043 (3) 0.061 (3) 0.024 (2) −0.004 (2) 0.012 (2) −0.004 (2) N13 0.044 (3) 0.061 (3) 0.027 (2) 0.002 (2) 0.011 (2) −0.003 (2) N21 0.040 (3) 0.065 (3) 0.027 (2) −0.004 (2) 0.0085 (19) 0.000 (2)
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Di μ chlorido bis­­{[2 (8 quinol­yl­oxy)­acetato κ3N,O1,O2]copper(II)}

Di μ chlorido bis­­{[2 (8 quinol­yl­oxy)­acetato κ3N,O1,O2]copper(II)}

C12 0.042 (3) 0.039 (2) 0.036 (3) −0.007 (2) 0.015 (2) −0.004 (2) C13 0.054 (3) 0.043 (3) 0.037 (3) −0.009 (2) 0.016 (2) 0.006 (2) C14 0.048 (3) 0.031 (2) 0.043 (3) −0.006 (2) 0.009 (2) 0.008 (2) C15 0.028 (2) 0.028 (2) 0.033 (3) −0.0051 (17) 0.0011 (19) 0.0008 (18) C16 0.040 (3) 0.022 (2) 0.047 (3) 0.0005 (18) 0.000 (2) −0.004 (2) C17 0.042 (3) 0.027 (2) 0.048 (3) 0.0005 (19) 0.014 (2) −0.009 (2) C18 0.038 (3) 0.030 (2) 0.037 (3) −0.0006 (18) 0.017 (2) −0.0072 (19) C19 0.031 (2) 0.023 (2) 0.032 (2) −0.0030 (17) 0.0058 (19) 0.0014 (18) C20 0.028 (2) 0.022 (2) 0.032 (2) −0.0033 (16) 0.0042 (18) −0.0042 (17) C21 0.032 (2) 0.028 (2) 0.036 (3) −0.0038 (17) 0.0158 (19) −0.0004 (18) C22 0.038 (3) 0.029 (2) 0.030 (3) −0.0011 (18) 0.005 (2) 0.0003 (18) Cl1 0.0459 (7) 0.0303 (5) 0.0342 (6) 0.0017 (4) 0.0184 (5) −0.0031 (4) Cl2 0.0448 (7) 0.0367 (6) 0.0346 (6) 0.0054 (5) 0.0142 (5) −0.0073 (5) Cu1 0.0460 (3) 0.0222 (3) 0.0414 (3) −0.0020 (2) 0.0248 (2) −0.0008 (2) Cu2 0.0420 (3) 0.0234 (3) 0.0405 (3) −0.0009 (2) 0.0220 (2) −0.0033 (2) N1 0.0268 (19) 0.0278 (17) 0.033 (2) −0.0023 (14) 0.0128 (15) 0.0011 (15) N2 0.030 (2) 0.0251 (17) 0.032 (2) −0.0029 (14) 0.0101 (16) −0.0027 (15) O1 0.0459 (19) 0.0225 (14) 0.0404 (18) −0.0029 (12) 0.0241 (14) 0.0024 (12) O2 0.0457 (19) 0.0259 (14) 0.0383 (18) −0.0044 (13) 0.0220 (14) −0.0003 (13) O3 0.055 (2) 0.0372 (17) 0.067 (2) −0.0154 (15) 0.0353 (18) −0.0038 (16) O4 0.0359 (17) 0.0216 (13) 0.0355 (17) −0.0016 (11) 0.0192 (13) −0.0022 (12) O5 0.0466 (19) 0.0231 (14) 0.0464 (19) −0.0008 (13) 0.0240 (15) −0.0021 (13) O6 0.055 (2) 0.0334 (16) 0.070 (2) −0.0102 (15) 0.0363 (18) −0.0018 (16)
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Analysis and Prediction of Urban Traffic Congestion Based on Big Data

Analysis and Prediction of Urban Traffic Congestion Based on Big Data

Factors affecting the efficiency of the traffic intersection: the width of the AB unilateral road; the distance between O1 and O2; the direction of the turning of the [r]

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