Crystallography Open Database

Information card for entry 7212458

Preview

Coordinates	7212458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H42 Mn3 N8 O14
Calculated formula	C48 H42 Mn3 N8 O14
Title of publication	Synthesis and characterization of metal complexes with a mixed 4-imidazole-containing ligand and a variety of multi-carboxylic acids
Authors of publication	Chen, Shui-Sheng; Bai, Zheng-Shuai; Fan, Jian; Lv, Gao-Chao; Su, Zhi; Chen, Man-Sheng; Sun, Wei-Yin
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	10
Pages of publication	3091
a	9.2547 ± 0.0012 Å
b	10.1947 ± 0.0014 Å
c	12.9233 ± 0.0017 Å
α	98.955 ± 0.003°
β	93.424 ± 0.003°
γ	104.368 ± 0.002°
Cell volume	1160.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0671
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.0965
Weighted residual factors for all reflections included in the refinement	0.1166
Goodness-of-fit parameter for all reflections included in the refinement	0.992
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.	7212458.cif
93031	2014-01-12	cif/ Adding structures of 7212453, 7212454, 7212455, 7212456, 7212457, 7212458 via cif-deposit CGI script.	7212458.cif