Crystallography Open Database

Information card for entry 4309925

Preview

Coordinates	4309925.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(Mn(PaPy3))2(mu-O)](ClO4)2 . 2.7CH2Cl2 . 0.5CH3CN
Formula	C43.7 H48.4 Cl7.4 Mn2 N10.5 O11
Calculated formula	C43.7 H44 Cl7.4 Mn2 N10.5 O11
Title of publication	Reductive Nitrosylation and Proton-Assisted Bridge Splitting of a (μ-Oxo)dimanganese(III) Complex Derived from a Polypyridine Ligand with One Carboxamide Group
Authors of publication	Kaushik Ghosh; Aura A. Eroy-Reveles; Marilyn M. Olmstead; Pradip K. Mascharak
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	8469 - 8475
a	17.112 ± 0.003 Å
b	13.682 ± 0.003 Å
c	22.511 ± 0.005 Å
α	90°
β	106.344 ± 0.009°
γ	90°
Cell volume	5057.4 ± 1.8 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0885
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.156
Weighted residual factors for all reflections included in the refinement	0.1791
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4309925.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309925.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309925.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).	4309925.cif