Crystallography Open Database

Information card for entry 7213913

Preview

Coordinates	7213913.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H46 Mn3 N4 O26
Calculated formula	C44 H46 Mn3 N4 O26
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	9.846 ± 0.007 Å
b	14.108 ± 0.01 Å
c	19.466 ± 0.014 Å
α	97.416 ± 0.008°
β	104.173 ± 0.008°
γ	104.323 ± 0.009°
Cell volume	2488 ± 3 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	0.0854
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.0913
Weighted residual factors for all reflections included in the refinement	0.1098
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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.	7213913.cif
105207	2014-03-11	cif/ Adding structures of 7213910, 7213911, 7213912, 7213913, 7213914, 7213915 via cif-deposit CGI script.	7213913.cif