coordination sphere
The first structurally characterised example of silicon in an S6 coordination sphere
... discreetly associated with the non-coordinating thioimidazolyl ring (figure 3, M.O. 281). The calculated Mulliken charges on these two non-coordinating sulfurs are -0.282 and -0.304 respectively. The silicon atom has a ...
12
The Effect of the Secondary Coordination Sphere on the Stabilities of Cerium(III) and Cerium(IV) Coordination Complexes
... secondary coordination sphere was ...secondary coordination sphere led to complex solution behavior and greater ligand lability, whereas larger cations formed better-defined solution ...
564
Bis[μ (3 acetyl 2 hydroxy 6 methyl 4H pyran 4 one κ3O:O′,O′′)]diaquatetrakis(pyridine κN)dicopper(II) diperchlorate
... connection mode of the copper cations exhibits dimers, i.e. two copper cations are bridged by two dehydroacetate anions in a bis-/monodentate fashion. The asymmetric unit of (I) contains only half of such a dimer. The ...
10
Synthesis and Studies of Spectral and Thermal Properties of Some Mixed Ligand Complexes of Thorium(IV) and Dioxouranium(VI) With Semicarbazones as Primary Ligand and Sulfoxide as Secondary Ligand
... the coordination sphere, thus the coordination number 6 has been assigned for these ...a coordination number seven is proposed in these ...
13
catena Poly[[aquazinc(II)] μ N,N′ bis(2 cyano 3 ethoxy 3 oxoprop 1 enyl)benzene 1,2 diaminido]
... fifth coordination site in one apical position is held by a coordinating solvent water molecule whereas the complete octahedral coordination sphere is completed by coordination of one N atom ...
8
A new Ni–Zn heterodinuclear complex: [μ2 bis(salicylidene)propane 1,3 diaminato]dichlorobis(N,N dimethylformamide)nickel(II)zinc(II)
... O atoms of NiL. The Ni II atom is coordinated by two dimethylformamide (DMF) solvent molecules, and two N and two O donor atoms of the ligand L, to form a distorted octahedral coordination sphere. ...
11
Bis(aquamethyldiphenyltrifluoroacetatotin)–18 crown 6 (1/1)
... its coordination sphere, and it has been isolated as an 'outer-sphere coordination′ complex with 1,10-phenanthroline (Ng et ...outer-sphere coordination complexes of hydrated ...
10
A Manganese Ions Ground State in MnxSi1–x: Negative U Properties Centre?
... The considering of double defect model we intentionally limit to the consideration of single elementary cell, understanding thus, that significant electronic density delocalization take place due to hybridization effects ...
10
Crystal structure at 100 K of bis[1,2 bis(diphenylphosphanyl)ethane]nickel(II) bis(trifluoromethanesulfonate): a possible negative thermal expansion molecular material
... The geometry of the cation formed by Ni (site symmetry 1) with the two dppe ligands is square planar (Fig. 1). We might expect the Ni—P distances to be the same (the ligand is symmetric); however, they are different. The ...
10
Electrochemical Reduction of Nickel – acrylic Acid Complexes: Quantum chemical Analysis
... primary coordination shell and move to the complex solvation shell (Table ...internal coordination sphere is close to zero, which makes the given system fundamentally different from nickel aqua ...
5
The Effects of Hydrogen Bonding on the Reactivity of Synthetic Ada Repair Protein Analogues
... metalloproteins. 35,36 Rather than work with a bulky metalloprotein, synthetic analogues are complexes that mimic the primary (and sometimes secondary) coordination sphere present in the active site of the ...
110
Crystal structure of (N1 benzyl N1,N2,N2 trimethylethane 1,2 diamine κ2N,N′)dichloridomercury(II)
... coordination sphere gave 96 hits, but the vast majority of these involved aromatic N donors such as pyridine and imidazole. There were only six hits involving aliphatic amine N-atom donors and only two ...
8
Chemistry of the p-block elements with anionic scorpionate ligands
... structures. However, introduction of substituents in the 5-position (e.g. in tris(3,5-dimethyl pyrazolyl)borate [80]) yields a structure in which two of the pyrazoles are coordinated to thallium, but the third, due to ...
68
Poly[μ3 aqua aqua μ5 (4 nitrobenzoato) caesium]
... 4-Nitrobenzoic acid (PNBA) has proved to be a useful ligand for the preparation of metal complexes, which are mainly monomeric but rarely involve the nitro group in coordination. With the known alkali metal salts ...
9
Tetraaquabis(piperazin 1 ium)cobalt(II) bis(sulfate) dihydrate
... inversion centre, exhibits a distorted octahedral coordination geometry with Co–O distances ranging from 2.0645 (14) to 2.0887 (13) Å and a Co–N bond distance equal to 2.2003 (14) Å. The O–Co–O and O–Co–N bond ...
10
Bis(1,1 dimethylguanidinium) tetraaquadimethyltin(IV) bis(sulfate)
... atom displays a slightly distorted octahedral coordination geometry defined by four O water atoms in the equatorial positions and two methyl groups in the axial positions. In the crystal, various O—H O and N—H O ...
8
In-depth investigation of large axial magnetic anisotropy in monometallic 3d complexes using frequency domain magnetic resonance and ab initio methods: a study of trigonal bipyramidal Co(ii)
... (ZFS) parameter E is zero, as is the case in a high symmetry molecule, then the contribution to the relaxation from quantum tunneling transitions mediated by hyperne or dipole elds will be further inhibited, thus ...
8
Manganese(II) chloride complexes with pyridine N oxide (PNO) derivatives and their solid state structures
... dination sphere around each Mn II atom is a distorted octa- hedron, with the equatorial atoms being two bridging chlorides alternating with two bridging pyridine N-oxide (PNO) molecules ...
14
A hydrated co crystal of bis(μ oxo κ2O:O)bis[aquaoxodichloromolybdenum(VI)] with cucurbit[6]uril
... molybdenum-bearing component interacts indirectly with two cryptands through the two coordinated water molecules, each outer-sphere-coordination cryptand forming only one hydrogen bond with each water ...
20
Dynamic Numerical Investigation of Random Packing for Spherical and Nonconvex Particles
... the sphere case, which is not the case for higher aspect ratio particles (note that, for aspect ratio of about 2, ...the sphere case, which may be due to the special choice of the nonconvex ...
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