Crystallography Open Database

Information card for entry 7211918

7211917 << 7211918 >> 7211919

Preview

Coordinates	7211918.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H4 Cu O6.8
Calculated formula	C12 H4 Cu O6.8
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	10.8058 ± 0.0006 Å
b	10.8058 ± 0.0006 Å
c	14.2168 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1660 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.091
Residual factor for significantly intense reflections	0.0861
Weighted residual factors for significantly intense reflections	0.2679
Weighted residual factors for all reflections included in the refinement	0.2715
Goodness-of-fit parameter for all reflections included in the refinement	1.199
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7211918.cif
92491	2014-01-12	cif/ Adding structures of 7211916, 7211917, 7211918, 7211919 via cif-deposit CGI script.	7211918.cif