Crystallography Open Database

Information card for entry 4509760

Preview

Coordinates	4509760.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H41 Co3 N4 O19.5
Calculated formula	C50 H41 Co3 N4 O19.5
Title of publication	Co(II) Metal−Organic Frameworks (MOFs) Assembled from Asymmetric Semirigid Multicarboxylate Ligands: Synthesis, Crystal Structures, and Magnetic Properties
Authors of publication	Wang, Hailong; Zhang, Daopeng; Sun, Daofeng; Chen, Yuting; Zhang, Li-Fang; Tian, Laijin; Jiang, Jianzhuang; Ni, Zhong-Hai
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	12
Pages of publication	5273
a	10.751 ± 0.0006 Å
b	12.8281 ± 0.0007 Å
c	19.623 ± 0.0014 Å
α	105.997 ± 0.001°
β	94.872 ± 0.001°
γ	107.69 ± 0.001°
Cell volume	2436.1 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0538
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1374
Weighted residual factors for all reflections included in the refinement	0.1425
Goodness-of-fit parameter for all reflections included in the refinement	1.133
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4509760.cif
97479	2014-01-29	cif/ Adding structures of 4509758, 4509759, 4509760, 4509761 via cif-deposit CGI script.	4509760.cif