Crystallography Open Database

Information card for entry 7022058

7022057 << 7022058 >> 7022059

Preview

Coordinates	7022058.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H19 Mo3 N10 Na0 O9
Calculated formula	C15 H20 Mo3 N10 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.[nH]1cncc1.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	10.4113 ± 0.0003 Å
b	8.5644 ± 0.0003 Å
c	28.5006 ± 0.0009 Å
α	90°
β	95.693 ± 0.003°
γ	90°
Cell volume	2528.77 ± 0.14 Å³
Cell temperature	446 ± 2 K
Ambient diffraction temperature	446 ± 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	0.0817
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1168
Weighted residual factors for all reflections included in the refinement	0.1245
Goodness-of-fit parameter for all reflections included in the refinement	1.274
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.	7022058.cif
89958	2013-11-17	cif/ Adding structures of 7022057, 7022058, 7022059, 7022060, 7022061, 7022062, 7022063, 7022064 via cif-deposit CGI script.	7022058.cif