Crystallography Open Database

Information card for entry 4514269

Preview

Coordinates	4514269.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H48 Co3 N12 O12 S2
Calculated formula	C78 H48 Co3 N12 O12 S2
Title of publication	Kinetic and Thermodynamic Control of Structure Transformations in a Family of Cobalt(II)-Organic Frameworks.
Authors of publication	Chen, Qiang; Feng, Rui; Xu, Jian; Jia, Yan-Yuan; Wang, Ting-Ting; Chang, Ze; Bu, Xian-He
Journal of publication	ACS applied materials & interfaces
Year of publication	2017
Journal volume	9
Journal issue	40
Pages of publication	35141 - 35149
a	22.0413 ± 0.0004 Å
b	27.5063 ± 0.0004 Å
c	14.3847 ± 0.0003 Å
α	90°
β	105.334 ± 0.002°
γ	90°
Cell volume	8410.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1309
Residual factor for significantly intense reflections	0.1004
Weighted residual factors for significantly intense reflections	0.2782
Weighted residual factors for all reflections included in the refinement	0.3121
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
202559 (current)	2017-11-04	cif/ Adding structures of 4514267, 4514268, 4514269, 4514270, 4514271, 4514272, 4514273, 4514274, 4514275, 4514276 via cif-deposit CGI script.	4514269.cif