Crystallography Open Database

Information card for entry 4508602

Preview

Coordinates	4508602.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H32 Cu4 N4 O18
Calculated formula	C52.12 Cu4.02 N3.96 O19.98
Title of publication	Perfect Statistical Symmetrization of a Heterofunctional Ligand Induced by Pseudo-Copper Trimer in an Expanded Matrix of HKUST-1
Authors of publication	Lin, Qipu; Bu, Xianhui; Feng, Pingyun
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	12
Pages of publication	5175
a	29.9759 ± 0.0001 Å
b	29.9759 ± 0.0001 Å
c	29.9759 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	26935 ± 0.16 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0956
Residual factor for significantly intense reflections	0.0798
Weighted residual factors for significantly intense reflections	0.2275
Weighted residual factors for all reflections included in the refinement	0.2504
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
179622 (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 4/50/86.	4508602.cif
91645	2013-12-13	cif/ Adding structures of 4508602 via cif-deposit CGI script.	4508602.cif