Crystallography Open Database

Information card for entry 7208031

7208030 << 7208031 >> 7208032

Preview

Coordinates	7208031.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H54 Cd Cl2 N4 O23
Calculated formula	C52 H40 Cd Cl2 N4 O23
Title of publication	Solvent- and anion-controlled photochromism of viologen-based metal‒organic hybrid materials
Authors of publication	Sun, Jian-Ke; Wang, Peng; Yao, Qing-Xia; Chen, Yong-Juan; Li, Zhao-Hui; Zhang, Yong-Fan; Wu, Li-Ming; Zhang, Jie
Journal of publication	Journal of Materials Chemistry
Year of publication	2012
Journal volume	22
Journal issue	24
Pages of publication	12212
a	19.348 ± 0.018 Å
b	31.17 ± 0.03 Å
c	9.522 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	5743 ± 9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.0923
Residual factor for significantly intense reflections	0.0708
Weighted residual factors for significantly intense reflections	0.1794
Weighted residual factors for all reflections included in the refinement	0.1949
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180411 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/80.	7208031.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208031.cif
60466	2012-06-14	cif/ Adding structures of 7208031, 7208032, 7208033, 7208034, 7208035 via cif-deposit CGI script.	7208031.cif