Crystallography Open Database

Information card for entry 7211919

7211918 << 7211919 >> 7211920

Preview

Coordinates	7211919.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H4 Cu O5.63
Calculated formula	C12 H4 Cu O5.62
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	0.088
Residual factor for significantly intense reflections	0.0832
Weighted residual factors for significantly intense reflections	0.2472
Weighted residual factors for all reflections included in the refinement	0.2509
Goodness-of-fit parameter for all reflections included in the refinement	1.2
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.	7211919.cif
92491	2014-01-12	cif/ Adding structures of 7211916, 7211917, 7211918, 7211919 via cif-deposit CGI script.	7211919.cif