Crystallography Open Database

Information card for entry 7022988

Preview

Coordinates	7022988.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32.5 H41 Cl3.5 Mn2 N5.5 O26
Calculated formula	C32.5 H32 Cl3.5 Mn2 N5.5 O26
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	15.258 ± 0.006 Å
b	21.333 ± 0.008 Å
c	29.267 ± 0.011 Å
α	90°
β	90°
γ	90°
Cell volume	9526 ± 6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0832
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.1662
Weighted residual factors for all reflections included in the refinement	0.18
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7022988.cif
90402	2013-11-17	cif/ Adding structures of 7022987, 7022988, 7022989, 7022990, 7022991 via cif-deposit CGI script.	7022988.cif