Crystallography Open Database

Information card for entry 4508788

Preview

Coordinates	4508788.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H22 Co N2 O8 Zn
Calculated formula	C29 H22 Co N2 O8 Zn
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	9.4045 ± 0.0015 Å
b	9.9465 ± 0.0016 Å
c	15.15 ± 0.002 Å
α	80.939 ± 0.003°
β	72.968 ± 0.003°
γ	75.745 ± 0.002°
Cell volume	1307.7 ± 0.3 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0581
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0921
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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.	4508788.cif
96929	2014-01-29	cif/ Adding structures of 4508788 via cif-deposit CGI script.	4508788.cif