Crystallography Open Database

Information card for entry 7017048

Preview

Coordinates	7017048.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H17 Mn N4 O7
Calculated formula	C12 H13 Mn N4 O7
Title of publication	Manganese(ii)-carboxylate-pseudohalide systems derived from 1,4-bis(4-carboxylatopyridinium-1-methylene)benzene: structures and magnetism.
Authors of publication	Wang, Yan-Qin; Sun, Qian; Yue, Qi; Cheng, Ai-Ling; Song, You; Gao, En-Qing
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	41
Pages of publication	10966 - 10974
a	7.2233 ± 0.0003 Å
b	11.417 ± 0.0004 Å
c	20.3946 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1681.91 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	53
Hermann-Mauguin space group symbol	P m n a
Hall space group symbol	-P 2ac 2
Residual factor for all reflections	0.0576
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.1111
Weighted residual factors for all reflections included in the refinement	0.1293
Goodness-of-fit parameter for all reflections included in the refinement	1.162
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
179874 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/70.	7017048.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7017048.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7017048.cif
30024	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 7017048, 7017049, 7017050 via cif-deposit CGI script.	7017048.cif