Crystallography Open Database

Information card for entry 7022064

7022063 << 7022064 >> 7022065

Preview

Coordinates	7022064.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Oxomolybdenum(VI/V) imidazole hydrate
Formula	C12 H18 Mo3 N8 O9
Calculated formula	C12 H18 Mo3 N8 O9
SMILES	[Mo]123([Mo](O1)(O[Mo](O3)(=O)=O)(O2)(=O)([n]1c[nH]cc1)[n]1cc[nH]c1)(=O)([n]1c[nH]cc1)[n]1c[nH]cc1.O
Title of publication	Synthesis, spectral, and structural characterizations of imidazole oxalato molybdenum(IV/V/VI) complexes.
Authors of publication	Chen, Quan-Liang; Chen, Hong-Bin; Cao, Ze-Xing; Zhou, Zhao-Hui
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	5
Pages of publication	1627 - 1636
a	8.2312 ± 0.0002 Å
b	15.6958 ± 0.0004 Å
c	8.7803 ± 0.0002 Å
α	90°
β	99.098 ± 0.002°
γ	90°
Cell volume	1120.1 ± 0.05 Å³
Cell temperature	446 ± 2 K
Ambient diffraction temperature	446 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0312
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.068
Weighted residual factors for all reflections included in the refinement	0.07
Goodness-of-fit parameter for all reflections included in the refinement	0.741
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
179925 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/20.	7022064.cif
89958	2013-11-17	cif/ Adding structures of 7022057, 7022058, 7022059, 7022060, 7022061, 7022062, 7022063, 7022064 via cif-deposit CGI script.	7022064.cif