Crystallography Open Database

Information card for entry 7022989

Preview

Coordinates	7022989.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H20 Mn2.5 N17 O6
Calculated formula	C16 H20 Mn2.5 N17 O6
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	9.353 ± 0.004 Å
b	17.977 ± 0.008 Å
c	7.836 ± 0.004 Å
α	90°
β	100.848 ± 0.005°
γ	90°
Cell volume	1294 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0523
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1174
Weighted residual factors for all reflections included in the refinement	0.1242
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7022989.cif
90402	2013-11-17	cif/ Adding structures of 7022987, 7022988, 7022989, 7022990, 7022991 via cif-deposit CGI script.	7022989.cif