Crystallography Open Database

Information card for entry 4514276

Preview

Coordinates	4514276.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C89 H64 Co3 N15 O15 S2
Calculated formula	C89 H70 Co3 N15 O15 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	21.9628 ± 0.0013 Å
b	27.4453 ± 0.0015 Å
c	14.1306 ± 0.0008 Å
α	90°
β	104.658 ± 0.001°
γ	90°
Cell volume	8240.4 ± 0.8 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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	0.0578
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1404
Weighted residual factors for all reflections included in the refinement	0.1452
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
202559 (current)	2017-11-04	cif/ Adding structures of 4514267, 4514268, 4514269, 4514270, 4514271, 4514272, 4514273, 4514274, 4514275, 4514276 via cif-deposit CGI script.	4514276.cif