Crystallography Open Database

Information card for entry 7219119

7219118 << 7219119 >> 7219120

Preview

Coordinates	7219119.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H44 Cu2 N10 O42 P W12
Calculated formula	C54 H40 Cu2 N10 O42 P W12
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	22.726 ± 0.004 Å
b	15.455 ± 0.003 Å
c	12.036 ± 0.002 Å
α	90°
β	115.17 ± 0.03°
γ	90°
Cell volume	3826 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1086
Residual factor for significantly intense reflections	0.1017
Weighted residual factors for significantly intense reflections	0.2294
Weighted residual factors for all reflections included in the refinement	0.2347
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
180522 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/91.	7219119.cif
133206	2015-03-06	cif/ Updating files of 7219116, 7219117, 7219118, 7219119 Original log message: Adding full bibliography for 7219116--7219119.cif.	7219119.cif
128818	2014-12-18	cif/ Adding structures of 7219116, 7219117, 7219118, 7219119 via cif-deposit CGI script.	7219119.cif