Crystallography Open Database

Information card for entry 7022990

Preview

Coordinates	7022990.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 Mn2 N14 O5
Calculated formula	C16 H16 Mn2 N14 O5
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	10.1109 ± 0.0017 Å
b	11.0032 ± 0.0018 Å
c	12.373 ± 0.002 Å
α	92.442 ± 0.006°
β	91.11 ± 0.005°
γ	115.871 ± 0.005°
Cell volume	1236.3 ± 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	0.0818
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1168
Weighted residual factors for all reflections included in the refinement	0.1361
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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.	7022990.cif
90402	2013-11-17	cif/ Adding structures of 7022987, 7022988, 7022989, 7022990, 7022991 via cif-deposit CGI script.	7022990.cif