Crystallography Open Database

Information card for entry 7216432

Preview

Coordinates	7216432.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H24 Cu2 Mo12 N16 O46.5 P S2
Calculated formula	C8 H12 Cu2 Mo12 N16 O44 P S2
Title of publication	Can tetrazole-functionalized ligands realize the role-control of Keggin-type POMs in hybrid frameworks?
Authors of publication	Hu, Hailiang; Zhang, Weisong; Gong, Jingjing; Dong, Huan; Zhao, Fangfang; Huang, Hui; Liu, Yang; Zhang, Guangju; Kang, Zhenhui
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	25
Pages of publication	5642
a	16.38 ± 0.002 Å
b	20.382 ± 0.003 Å
c	31.993 ± 0.004 Å
α	90°
β	97.917 ± 0.002°
γ	90°
Cell volume	10579 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0596
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1313
Weighted residual factors for all reflections included in the refinement	0.1381
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7216432.cif
116047	2014-06-06	cif/ Adding structures of 7216432, 7216433, 7216434, 7216435 via cif-deposit CGI script.	7216432.cif