Crystallography Open Database

Information card for entry 4510587

Preview

Coordinates	4510587.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H2 Cu O5 S2
Calculated formula	C10 H2 Cu O5 S2
Title of publication	Two Copper(II) Metal‒Organic Frameworks with Nanoporous Channels and Vacant Coordination Sites
Authors of publication	Huang, Yumei; Zhang, Bingguang; Duan, Jingui; Liu, Wenlong; Zheng, Xiaofang; Wen, Lili; Ke, Xiaohuan; Li, Dongfeng
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	6
Pages of publication	2866
a	36.479 ± 0.001 Å
b	36.479 ± 0.001 Å
c	36.479 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	48543 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.1442
Residual factor for significantly intense reflections	0.095
Weighted residual factors for significantly intense reflections	0.2289
Weighted residual factors for all reflections included in the refinement	0.251
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
179652 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/05.	4510587.cif
119071	2014-07-05	cif/ Updating files of 4510587, 4510588 Original log message: Adding full bibliography for 4510587--4510588.cif.	4510587.cif
112872	2014-05-06	cif/ Adding structures of 4510587, 4510588 via cif-deposit CGI script.	4510587.cif