Crystallography Open Database

Information card for entry 4306932

Preview

Coordinates	4306932.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H40 As2 Mo6 N6 O31
Calculated formula	C30 H30 As2 Mo6 N6 O31
SMILES	[As]12(O[Mo]34(=O)(=O)O[Mo]56(=O)(=O)O[Mo]7(=O)(=O)(O[Mo]8(=O)(=O)(O[Mo]9%10(O[Mo](=O)(=O)(O3)(O%10)[O]9[As]([O]45)([O]78)=O)(=O)=O)O1)[O]26)=O.O.O.O.O.c1cc(cc[nH+]1)c1cc[nH+]cc1.c1cc(cc[nH+]1)c1cc[nH+]cc1.c1cc(cc[nH+]1)c1cc[nH+]cc1
Title of publication	A Series of New Organic-Inorganic Molybdenum Arsenate Complexes Based on [(ZnO6)(As3O3)2Mo6O18]4- and [HxAs2Mo6O26](6-x)- Clusters as SBUs
Authors of publication	Chunyan Sun; Yangguang Li; Enbo Wang; Dongrong Xiao; Haiyan An; Lin Xu
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	1563 - 1574
a	11.795 ± 0.002 Å
b	24.301 ± 0.005 Å
c	17.028 ± 0.003 Å
α	90°
β	94.64 ± 0.03°
γ	90°
Cell volume	4864.7 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0496
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0955
Weighted residual factors for all reflections included in the refinement	0.1
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
179107 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/69.	4306932.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306932.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306932.cif
31986	2012-01-04	cif/ Changing more tags to match the dictionary specifications: -_diffrn_standards_interval_count none -_diffrn_standards_interval_time none -_diffrn_standards_number none +_diffrn_standards_interval_count 0 +_diffrn_standards_interval_time . +_diffrn_standards_number 0	4306932.cif
31985	2012-01-04	cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'.	4306932.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4306932.cif