Crystallography Open Database

Information card for entry 4107591

Preview

Coordinates	4107591.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5.7 H3 Cd0.5 N2.35 O4.68
Calculated formula	C5.7 H3 Cd0.5 N2.35 O4.67992
Title of publication	Quest for Zeolite-like Metal-Organic Frameworks: On Pyrimidinecarboxylate Bis-Chelating Bridging Ligands
Authors of publication	Dorina F. Sava; Victor Ch. Kravtsov; Farid Nouar; Lukasz Wojtas; Jarrod F. Eubank; Mohamed Eddaoudi
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	3768 - 3770
a	30.07 ± 0.007 Å
b	30.07 ± 0.007 Å
c	30.07 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	27189 ± 11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	229
Hermann-Mauguin space group symbol	I m -3 m
Hall space group symbol	-I 4 2 3
Residual factor for all reflections	0.1024
Residual factor for significantly intense reflections	0.0771
Weighted residual factors for significantly intense reflections	0.19
Weighted residual factors for all reflections included in the refinement	0.2053
Goodness-of-fit parameter for all reflections included in the refinement	1.123
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4107591.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107591.cif
55277	2012-05-04	cif/ Adding structures of 4107591 via cif-deposit CGI script.	4107591.cif