Crystallography Open Database

Information card for entry 7022991

Preview

Coordinates	7022991.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 Mn2 N6 O9
Calculated formula	C20 H16 Mn2 N6 O9
Title of publication	Structures and magnetic properties of copper(II) and manganese(II) polymers derived from pseudohalides and a flexible zwitterionic dicarboxylate ligand.
Authors of publication	Wang, Kun; Yi, Xiu-Chun; Wang, Xuan; Li, Xiu-Bing; Gao, En-Qing
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	24
Pages of publication	8748 - 8760
a	21.682 ± 0.003 Å
b	10.8253 ± 0.0011 Å
c	12.0065 ± 0.0012 Å
α	90°
β	121.662 ± 0.004°
γ	90°
Cell volume	2398.6 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.034
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0819
Weighted residual factors for all reflections included in the refinement	0.0868
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
179934 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/29.	7022991.cif
90402	2013-11-17	cif/ Adding structures of 7022987, 7022988, 7022989, 7022990, 7022991 via cif-deposit CGI script.	7022991.cif