Crystallography Open Database

Information card for entry 4503213

Preview

Coordinates	4503213.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H58 Co3 N12 O17
Calculated formula	C60 H52 Co3 N12 O17
Title of publication	Hydrothermal Synthesis of Metal−Organic Frameworks Based on Aromatic Polycarboxylate and Flexible Bis(imidazole) Ligands
Authors of publication	Qi, Yan; Luo, Feng; Che, Yunxia; Zheng, Jimin
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	2
Pages of publication	606
a	14.178 ± 0.003 Å
b	10.118 ± 0.002 Å
c	20.936 ± 0.004 Å
α	90°
β	99.79 ± 0.03°
γ	90°
Cell volume	2959.6 ± 1.1 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1015
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1139
Weighted residual factors for all reflections included in the refinement	0.132
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
179563 (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 4/50/32.	4503213.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503213.cif
41418	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503213 via cif-deposit CGI script.	4503213.cif