Crystallography Open Database

Information card for entry 7213911

Preview

Coordinates	7213911.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H44 Cu2 N8 O11
Calculated formula	C46 H42 Cu2 N8 O11
Title of publication	Exploring the structural diversities and magnetic properties of copper(ii) and manganese(ii) complexes based on 5-methoxyisophthalate and flexible bis(imidazole) ligands
Authors of publication	Chang, Xin-Hong; Qin, Jian-Hua; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	5
Pages of publication	870
a	9.703 ± 0.002 Å
b	9.703 ± 0.002 Å
c	13.09 ± 0.003 Å
α	80.909 ± 0.002°
β	77.613 ± 0.002°
γ	62.896 ± 0.002°
Cell volume	1068.9 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0538
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.094
Weighted residual factors for all reflections included in the refinement	0.1039
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
180470 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/39.	7213911.cif
105207	2014-03-11	cif/ Adding structures of 7213910, 7213911, 7213912, 7213913, 7213914, 7213915 via cif-deposit CGI script.	7213911.cif