Crystallography Open Database

Information card for entry 4511121

Preview

Coordinates	4511121.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H35.5 Co2 N8 O12.5
Calculated formula	C36 H34 Co2 N8 O12.5
Title of publication	1D, 2D, and 3D Metal−Organic Frameworks Based on Bis(imidazole) Ligands and Polycarboxylates: Syntheses, Structures, and Photoluminescent Properties
Authors of publication	Zhang, Lai-Ping; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying; Wei, Guo-Hua
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	11
Pages of publication	4660
a	11.159 ± 0.003 Å
b	24.415 ± 0.007 Å
c	14.723 ± 0.004 Å
α	90°
β	96.91 ± 0.03°
γ	90°
Cell volume	3982.1 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0848
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1671
Weighted residual factors for all reflections included in the refinement	0.1879
Goodness-of-fit parameter for all reflections included in the refinement	0.987
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.	4511121.cif
114709	2014-05-29	cif/ Adding structures of 4511116, 4511117, 4511118, 4511119, 4511120, 4511121, 4511122, 4511123, 4511124, 4511125 via cif-deposit CGI script.	4511121.cif