Crystallography Open Database

Information card for entry 4506930

Preview

Coordinates	4506930.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17.25 H13 Co0.5 N2 O3
Calculated formula	C17.25 H11 Co0.5 N2 O3
Title of publication	Construction of Three-Dimensional Cobalt(II)-Based Metal‒Organic Frameworks by Synergy between Rigid and Semirigid Ligands
Authors of publication	Yang, Weiting; Guo, Min; Yi, Fei-Yan; Sun, Zhong-Ming
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	11
Pages of publication	5529
a	26.658 ± 0.002 Å
b	26.658 ± 0.002 Å
c	8.479 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	6025.6 ± 0.8 Å³
Cell temperature	106 ± 2 K
Ambient diffraction temperature	106 ± 2 K
Number of distinct elements	5
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor for all reflections	0.1116
Residual factor for significantly intense reflections	0.0949
Weighted residual factors for significantly intense reflections	0.2698
Weighted residual factors for all reflections included in the refinement	0.2952
Goodness-of-fit parameter for all reflections included in the refinement	1.23
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.	4506930.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506930.cif
71891	2013-01-21	cif/ Adding structures of 4506927, 4506928, 4506929, 4506930 via cif-deposit CGI script.	4506930.cif