Crystallography Open Database

Information card for entry 8102867

Preview

Coordinates	8102867.cif
External links	PubChem

Structure parameters

Chemical name	1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene hexamolybdate
Formula	C22 H42 Mo6 N4 O19
Calculated formula	C22 H42 Mo6 N4 O19
Title of publication	Crystal structure of bis(1,3-diisopropyl-4,5-dimethylimidazolium) hexamolybdate, [C11H21N2]2[Mo6O19]
Authors of publication	Xiaoli Ma; Zhi Yang; Carola Schulzke
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	4
Pages of publication	775
a	11.084 ± 0.0005 Å
b	12.7449 ± 0.0008 Å
c	13.0142 ± 0.0006 Å
α	90°
β	95.941 ± 0.003°
γ	90°
Cell volume	1828.57 ± 0.16 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
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	0.0199
Residual factor for significantly intense reflections	0.0172
Weighted residual factors for significantly intense reflections	0.0427
Weighted residual factors for all reflections included in the refinement	0.0437
Goodness-of-fit parameter for all reflections included in the refinement	0.985
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
301880 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure.	8102867.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102867.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102867.cif
13606	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102867 via cif-deposit CGI script.	8102867.cif