Crystallography Open Database

Information card for entry 4509693

Preview

Coordinates	4509693.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As6 H20 Mo6 N2 Na2 Ni O36
Calculated formula	As6 Mo6 Na2 Ni O38
SMILES	O1[As]2[O]34[Mo]56(=O)(=O)O[Mo]74([O]48[Mo]9([O]%10%11[As]1O[As]([O]1%12[Mo]%13%14(=O)(=O)O[Mo]%12([O]%125[Ni]34%101[O]%13([As]1O[As]%12O[As]8O1)[Mo]%11(O9)(=O)(=O)O%14)(=O)(=O)O6)O2)(=O)(=O)O7)(=O)=O.O.O.[Na+].O.O.O.[Na+].O.O.O
Title of publication	Three Hybrid Organic−Inorganic Assemblies Based on Different Arsenatomolybdates and CuII−Organic Units
Authors of publication	Li, Lili; Liu, Bin; Xue, Ganglin; Hu, Huaiming; Fu, Feng; Wang, Jiwu
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	12
Pages of publication	5206
a	15.2475 ± 0.0011 Å
b	15.2475 ± 0.0011 Å
c	15.2475 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	3544.8 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.1084
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	1.151
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4509693.cif
97445	2014-01-29	cif/ Adding structures of 4509693 via cif-deposit CGI script.	4509693.cif