Crystallography Open Database

Information card for entry 7211917

7211916 << 7211917 >> 7211918

Preview

Coordinates	7211917.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 Cu O6
Calculated formula	C14 H14 Cu O6
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	16.1983 ± 0.0008 Å
b	14.3762 ± 0.0008 Å
c	12.8497 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2992.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1255
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.1787
Weighted residual factors for all reflections included in the refinement	0.2341
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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.	7211917.cif
92491	2014-01-12	cif/ Adding structures of 7211916, 7211917, 7211918, 7211919 via cif-deposit CGI script.	7211917.cif