Crystallography Open Database

Information card for entry 4314764

Preview

Coordinates	4314764.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H27 Cl4 Mn2 N4 O16
Calculated formula	C38 H27 Cl4 Mn2 N4 O16
Title of publication	Two Temperature-Independent Spinomers of the Dinuclear Mn(III) Compound [{Mn(H~2~O)(phen)}~2~(μ-2-ClC~6~H~4~COO)~2~(μ-O)](ClO~4~)~2~
Authors of publication	Verónica Gómez; Montserrat Corbella; Gabriel Aullón
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	1471 - 1480
a	10.5737 ± 0.0003 Å
b	22.7311 ± 0.0007 Å
c	17.0612 ± 0.0005 Å
α	90°
β	95.979 ± 0.001°
γ	90°
Cell volume	4078.4 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0971
Residual factor for significantly intense reflections	0.0758
Weighted residual factors for significantly intense reflections	0.1623
Weighted residual factors for all reflections included in the refinement	0.1697
Goodness-of-fit parameter for all reflections included in the refinement	1.117
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179227 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/47.	4314764.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314764.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314764.cif
7907	2011-02-03	../uploads/cif-deposit/cod/cif Adding structures of 4314764 via cif-deposit CGI script.	4314764.cif