Crystallography Open Database

Information card for entry 7211916

7211915 << 7211916 >> 7211917

Preview

Coordinates	7211916.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H6 Cu O8
Calculated formula	C12 H6 Cu O8
Title of publication	Versatile functionalities in MOFs assembled from the same building units: interplay of structural flexibility, rigidity and regularity
Authors of publication	Kanoo, Prakash; Gurunatha, K. L.; Maji, Tapas Kumar
Journal of publication	Journal of Materials Chemistry
Year of publication	2010
Journal volume	20
Journal issue	7
Pages of publication	1322
a	20.539 ± 0.002 Å
b	20.539 ± 0.002 Å
c	6.9994 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2952.7 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.0405
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.1016
Weighted residual factors for all reflections included in the refinement	0.1158
Goodness-of-fit parameter for all reflections included in the refinement	1.139
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
180450 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/19.	7211916.cif
92491	2014-01-12	cif/ Adding structures of 7211916, 7211917, 7211918, 7211919 via cif-deposit CGI script.	7211916.cif