Crystallography Open Database

Information card for entry 4306927

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Coordinates	4306927.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H44 As6 Mo6 N8 O36 Zn3
Calculated formula	C48 H32 As6 Mo6 N8 O36 Zn3
SMILES	[Mo]123(=O)(=O)[O]45[Zn]6789[O]%10%11[As]%12O[As]%13[O]%147[Mo]7(O[Mo]5%14(=[O][Zn]5%14([n]%15cccc%16ccc%17ccc[n]5c%17c%15%16)([n]5cccc%15ccc%16ccc[n]%14c%16c5%15)[OH2])(=O)O3)(O[Mo]3%10([O]87[As]5O[As]([O]76[Mo](O[Mo]%117(=[O][Zn]67([n]8cccc%10ccc%11ccc[n]6c%11c8%10)([n]6cccc8ccc%10ccc[n]7c%10c68)[OH2])(=O)O3)(O1)([O]29[As](O%13)O%12)(=O)=O)O[As]4O5)(=O)=O)(=O)=O.O.O.O.O
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	10.493 ± 0.002 Å
b	10.781 ± 0.002 Å
c	15.639 ± 0.003 Å
α	77.55 ± 0.03°
β	77.86 ± 0.03°
γ	78.81 ± 0.03°
Cell volume	1668.3 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.112
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.1149
Weighted residual factors for all reflections included in the refinement	0.1368
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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.	4306927.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306927.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306927.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	4306927.cif
31985	2012-01-04	cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'.	4306927.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4306927.cif