re nement
2 Aminoethylammonium tris(1,2 ethylenediamine)nickel(II) tetraselenoantimonate(V)
... Data collection: CrystalClear Rigaku, 2002; cell re®nement: CrystalClear; data reduction: CrystalClear; programs used to solve structure: SHELXTL Siemens, 1994; programs used to re®ne st[r] ...
10
Bis[N (4 hydroxybenzyl) D,L alaninato]copper(II) tetrahydrate
... Data collection: CrystalClear Rigaku, 2000; cell re®nement: CrystalClear; data reduction: CrystalClear; programs used to solve structure: SHELXS97 Sheldrick, 1997; programs used to re®ne[r] ...
6
1,4,8,11 Tetrabenzyl 6,13 dimethylene 1,4,8,11 tetraazacyclotetradecane 2,3,9,10 tetraone
... H atoms were placed at ideal (Sheldrick, 1997) tetrahedral or trigonal positions and rode on their bonded neighbors during the re®nement, with periodic re-idealization. The H-atom displacement ...
7
N,N (2 benzothiazole)(2 pyridylmethyl)amine
... cell re®nement: XSCANS; data reduction: SHELXTL (Sheldrick, 1997a); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997b); program(s) used to re®ne structure: SHELXL97 (Sheldrick, 1997b); ...
7
4,4′ Bipyridyl adduct of an iodobismuthate anion linked by a 4,4′ bipyridinium cation
... new re¯ection intensity data ®le was produced that contained ¯ags marking all of the overlapping ...During re®nement the observed intensity for each overlapping re¯ection was ®tted to the sum ...
7
1,5 Di tert butyl 3,3,7,7,10,10 hexaphenyl 2,4,6,8,9,11 hexaoxa 3,7,10 trisila 1,5 digermabicyclo[3 3 3]undecane
... cell re®nement: EVALCCD (Duisenberg, 1998); data reduction: EVALCCD; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to re®ne structure: SHELXL97 (Sheldrick, 1997); ...
14
Aquabis(1,5 dimethyl 2 phenyl 4 {[(E) 4 pyridylmethylene κN]amino}pyrazolidin 3 one)dinitratonickel(II)
... cell re®nement: XSCANS; data reduction: SHELXTL (Sheldrick, 1997a); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997b); program(s) used to re®ne structure: SHELXL97 (Sheldrick, 1997b); ...
12
Aquabis(p methoxybenzoato)(1,10 phenanthroline)manganese(II) p methoxybenzoic acid
... cell re®nement: Crystal Clear; data reduction: Crystal Clear; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997; program(s) used to re®ne structure: SHELXL97 (Sheldrick, 1997); molecular ...
10
[2,2 Bis(chloromethyl)propylene]bis(diphenylstibine)
... Cell re®nement: DENZO Hooft, 1998 and COLLECT Otwinowski & Minor, 1997; data reduction: DENZO and COLLECT; programs used to solve structure: SHELXS97 Sheldrick, 1997; programs used to re[r] ...
5
Biphenyl 3,3′,5,5′ tetracarboxylic acid
... Cell re®nement: DENZO (Otwinowski & Minor, 1997) and COLLECT (Hooft, 1998); data reduction: DENZO and COLLECT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to ...
7
A redetermination of 4′ hydroxyacetophenone
... cell re®nement: DENZO±SMN (Otwinowski & Minor, 1997); data reduction: DENZO±SMN; program(s) used to solve structure: SHELXTL/PC (Sheldrick, 2001); program(s) used to re®ne structure: SHELXTL/ PC; ...
9
Diaquabis(pyridine 2,5 dicarboxylato)cobalt(II)
... Data collection: CrystalClear Rigaku, 2000; cell re®nement: CrystalClear; data reduction: CrystalClear; programs used to solve structure: SHELXS97 Sheldrick, 1997a; programs used to re®n[r] ...
6
cis (2,2′ Bipyridine)bis[2 (2 pyridyl) 4 methoxycarbonylquinoline]ruthenium(II) hexafluorophosphate
... structure re®nement, the atoms of the ester group (C15, O1, O2 and C16) all had very large anisotropic displacement ...the re®nement when these atoms were treated as disordered ...
10
Benzyltrimethylammonium tris(pyrimidine 2 thiolato κ2N,S)nickelate(II)
... Data collection: CrystalClear Rigaku, 2000; cell re®nement: CrystalClear; data reduction: CrystalClear; programs used to solve structure: SHELXS97 Sheldrick, 1997a; programs used to re®n[r] ...
8
3 (1H 1,2,4 Triazol 4 yl)phenol
... Hydroxyl H atoms were located in a difference map and re®ned with isotropic displacement parameters Data collection: CrystalClear Rigaku, 2002; cell re®nement: CrystalClear; data reducti[r] ...
7
Dichloro(N,N,N′ trimethylethylenediamine)zinc(II)
... cell re®nement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SIR92 (Altomare et ...to re®ne structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPIII ...
6
Azidotriphenylsilane: a new determination
... Data collection: SMART Bruker, 1999; cell re®nement and data reduction: SAINT Bruker, 1999; structure solution : SHELXS97 Sheldrick, 1997; structure re®nement: SHELXL97 Sheldrick, 1997; [r] ...
8
Ethyl 2 (acetylamino) 2 (9 hydroxy 10 oxo 9,10 dihydro 9 phenanthrenyl)acetate
... Data collection: SMART Siemens, 1996; cell re®nement: SAINT Siemens, 1996; data reduction: SAINT; structure solution: SHELXTL Sheldrick, 1997; structure re®nement: SHELXTL; molecular gra[r] ...
8
2 [Hydroxy(2 pyridyl)methyl] 2 cyclopenten 1 one: the Baylis–Hillman adduct of 2 pyridinecarboxaldehyde and 2 cyclopenten 1 one
... cell re®nement: SAINT (Bruker, 2000); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to re®ne structure: SHELXL97 (Sheldrick, 1997); molecular ...
7
A C centered monoclinic modification of bis(di 2 pyridylmethanediol κ3N,O,N′)copper(II) diacetate tetrahydrate
... Data collection: CrystalClear Rigaku, 2002; cell re®nement: CrystalClear; data reduction: CrystalClear; programs used to solve structure: SHELXS97 Sheldrick, 1997; programs used to re®ne[r] ...
8