Crystallography Open Database

Information card for entry 7219117

7219116 << 7219117 >> 7219118

Preview

Coordinates	7219117.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H31 Cu3 Mo12 N8 O40.5 P
Calculated formula	C35 H30 Cu3 Mo12 N8 O40.5 P
Title of publication	Secondary organic moiety templated organic‒inorganic polyoxometalate-based frameworks
Authors of publication	Xiao, Li-Na; Wang, La-Mei; Shan, Xiao-Nan; Guo, Hai-Yang; Fu, Li-Wei; Hu, Yang-Yang; Cui, Xiao-Bing; Li, Ke-Chang; Xu, Ji-Qing
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	6
Pages of publication	1336
a	23.402 ± 0.002 Å
b	21.76 ± 0.002 Å
c	26.461 ± 0.003 Å
α	90°
β	116.239 ± 0.002°
γ	90°
Cell volume	12086 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
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	0.0886
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1388
Weighted residual factors for all reflections included in the refinement	0.1555
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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.	7219117.cif
133206	2015-03-06	cif/ Updating files of 7219116, 7219117, 7219118, 7219119 Original log message: Adding full bibliography for 7219116--7219119.cif.	7219117.cif
128818	2014-12-18	cif/ Adding structures of 7219116, 7219117, 7219118, 7219119 via cif-deposit CGI script.	7219117.cif