Crystallography Open Database

Information card for entry 4030941

Preview

Coordinates	4030941.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H22 K2.5 Mo2 N Na2 O21 S2
Calculated formula	C12 K2.5 Mo2 N Na2 O20.003 S2
SMILES	[Mo]1234([Mo]56(S1)(S2)(OC(C(=O)O5)(CC(=O)O6)CC(=O)[O-])=O)(OC(=O)C(O3)(CC(=O)O4)CC(=O)[O-])=O.[Na+].O.O.O.O.[NH4+].[K+].[K+].[K+].[Na+]
Title of publication	A new dinuclear molybdenum(V)-sulfur complex containing citrate ligand: synthesis and characterization of K~2.5~Na~2~NH~4~[Mo~2~O~2~S~2~(cit)~2~] · 5H~2~O
Authors of publication	Xing, Y.-H.; Xu, J.-Q.; Sun, H.-R.; Li, D.-M.; Xing, Y.; Lin, Y.-H.; Jia, H.-Q.
Journal of publication	European Journal of Solid State and Inorganic Chemistry
Year of publication	1998
Journal volume	35
Journal issue	10-11
Pages of publication	745 - 756
a	7.376 ± 0.003 Å
b	14.62 ± 0.002 Å
c	14.661 ± 0.001 Å
α	71.1 ± 0.01°
β	81.77 ± 0.01°
γ	78.27 ± 0.02°
Cell volume	1459.4 ± 0.6 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1602
Diffraction radiation probe	x-ray
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
182190 (current)	2016-04-18	cif/4/03/ (antanas@kurmis) Updating bibliography for entries 4030925-4030926, 4030934-4030941.	4030941.cif
178488	2016-03-21	cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/09.	4030941.cif
135144	2015-04-08	cif/ Adding structures of 4030941 via cif-deposit CGI script.	4030941.cif