Crystallography Open Database

Information card for entry 7236264

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Structure parameters

Formula	C42 H42 Mo12 N9 Ni2 O43 P
Calculated formula	C42 H42 Mo12 N9 Ni2 O43 P
Title of publication	A series of organic–inorganic hybrid materials consisting of flexible organic amine modified polyoxomolybdates: synthesis, structures and properties
Authors of publication	Gong, Chunhua; Zeng, Xianghua; Zhu, Chengfeng; Shu, Jiahui; Xiao, Pingxiu; Xu, Hao; Liu, Lichun; Zhang, Junyong; Zeng, Qingdao; Xie, Jingli
Journal of publication	RSC Advances
Year of publication	2016
Journal volume	6
Journal issue	108
Pages of publication	106248
a	11.2559 ± 0.0004 Å
b	24.1685 ± 0.0011 Å
c	25.7463 ± 0.0009 Å
α	90°
β	100.287 ± 0.004°
γ	90°
Cell volume	6891.4 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0935
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1122
Weighted residual factors for all reflections included in the refinement	0.1315
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7236264.cif
235331	2019-11-23	cif/ Adding structures of 7236261, 7236262, 7236263, 7236264, 7236265, 7236266, 7236267 via cif-deposit CGI script.	7236264.cif