Crystallography Open Database

Information card for entry 4508240

Preview

Coordinates	4508240.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C426 H710 Cu24 N110 Na12 O266 S24
Calculated formula	C200 H96 Cu24 N24 O192 S24
Title of publication	A Designed Three-Dimensional Porous Hydrogen-Bonding Network Based on a Metal‒Organic Polyhedron
Authors of publication	Wei, Wei; Li, Wanlong; Wang, Xingzhu; He, Jieya
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	9
Pages of publication	3843
a	43.0209 ± 0.0002 Å
b	43.0209 ± 0.0002 Å
c	43.0209 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	79623 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.087
Residual factor for significantly intense reflections	0.08
Weighted residual factors for significantly intense reflections	0.2518
Weighted residual factors for all reflections included in the refinement	0.2644
Goodness-of-fit parameter for all reflections included in the refinement	1.119
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179618 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/82.	4508240.cif
88969	2013-10-09	cif/ Adding structures of 4508240 via cif-deposit CGI script.	4508240.cif