Crystallography Open Database

Information card for entry 4510588

Preview

Coordinates	4510588.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H8 Cl Cu4 O16 S8
Calculated formula	C40 H8 Cl Cu4 O16 S8
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	20.4434 ± 0.0014 Å
b	20.4434 ± 0.0014 Å
c	20.4434 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	8544 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for all reflections	0.0244
Residual factor for significantly intense reflections	0.0221
Weighted residual factors for significantly intense reflections	0.0605
Weighted residual factors for all reflections included in the refinement	0.061
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
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.	4510588.cif
119071	2014-07-05	cif/ Updating files of 4510587, 4510588 Original log message: Adding full bibliography for 4510587--4510588.cif.	4510588.cif
112872	2014-05-06	cif/ Adding structures of 4510587, 4510588 via cif-deposit CGI script.	4510588.cif