Crystallography Open Database

Information card for entry 4333663

Preview

Coordinates	4333663.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PCN-922
Formula	C58 H28 Cu4 O20
Calculated formula	C58 H28 Cu4 O20
Title of publication	A Route to Metal-Organic Frameworks through Framework Templating
Authors of publication	Zhangwen Wei; Weigang Lu; Hai-Long Jiang; Hong-Cai Zhou
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	1164 - 1166
a	18.583 ± 0.016 Å
b	18.583 ± 0.016 Å
c	35.68 ± 0.03 Å
α	90°
β	90°
γ	90°
Cell volume	12321 ± 18 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
Space group number	139
Hermann-Mauguin space group symbol	I 4/m m m
Hall space group symbol	-I 4 2
Residual factor for all reflections	0.2133
Residual factor for significantly intense reflections	0.0902
Weighted residual factors for significantly intense reflections	0.213
Weighted residual factors for all reflections included in the refinement	0.2621
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
179439 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/36.	4333663.cif
99465	2014-01-31	cif/ Adding structures of 4333663 via cif-deposit CGI script.	4333663.cif