Crystallography Open Database

Information card for entry 4308941

Preview

Coordinates	4308941.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H26 Cl2 Mn2 N5 O4
Calculated formula	C27 H24 Cl1.98 Mn2 N5 O4
Title of publication	Redox Site Confinement in Highly Unsymmetric Dimanganese Complexes
Authors of publication	Tianlu Sheng; Sebastian Dechert; Isabella Hyla-Kryspin; Rainer F. Winter; Franc Meyer
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	3863 - 3874
a	9.271 ± 0.0003 Å
b	11.2919 ± 0.0003 Å
c	14.483 ± 0.0004 Å
α	101.782 ± 0.001°
β	91.122 ± 0.001°
γ	103.841 ± 0.002°
Cell volume	1437.4 ± 0.07 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0704
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.1817
Weighted residual factors for all reflections included in the refinement	0.1891
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179127 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/89.	4308941.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308941.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308941.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308941.cif