Crystallography Open Database

Information card for entry 4506927

Preview

Coordinates	4506927.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H34 Co2 N4 O12
Calculated formula	C45 H34 Co2 N4 O12
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	20.131 ± 0.002 Å
b	24.767 ± 0.003 Å
c	26.928 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	13426 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1473
Residual factor for significantly intense reflections	0.1002
Weighted residual factors for significantly intense reflections	0.2857
Weighted residual factors for all reflections included in the refinement	0.307
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
179605 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/69.	4506927.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506927.cif
71891	2013-01-21	cif/ Adding structures of 4506927, 4506928, 4506929, 4506930 via cif-deposit CGI script.	4506927.cif