Crystallography Open Database

Information card for entry 4508789

Preview

Coordinates	4508789.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H18 Co N2 O4
Calculated formula	C21 H18 Co N2 O4
Title of publication	Two 2-Fold Interpenetrated Frameworks Showing Different Topologies Based on the Isomerous Benzenedicarboxylate Mixed with a FlexibleN,N‘-Type Ligand
Authors of publication	Chen, Pang-Kuan; Che, Yun-Xia; Xue, Lin; Zheng, Ji-Min
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	11
Pages of publication	2517
a	11.722 ± 0.002 Å
b	16.609 ± 0.003 Å
c	19.65 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3825.7 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0516
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.1112
Weighted residual factors for all reflections included in the refinement	0.1165
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
179623 (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 4/50/87.	4508789.cif
96930	2014-01-29	cif/ Adding structures of 4508789 via cif-deposit CGI script.	4508789.cif