Crystallography Open Database

Information card for entry 4309924

Preview

Coordinates	4309924.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Mn(PaPy3)(OOC6H5)](ClO4).CH2Cl2
Formula	C28 H27 Cl3 Mn N5 O7
Calculated formula	C28 H27 Cl3 Mn N5 O7
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	11.2904 ± 0.0009 Å
b	17.3599 ± 0.0013 Å
c	17.875 ± 0.0013 Å
α	110.209 ± 0.004°
β	105.526 ± 0.002°
γ	102.543 ± 0.003°
Cell volume	2976.3 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.0907
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.125
Weighted residual factors for all reflections included in the refinement	0.1471
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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
179137 (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 4/30/99.	4309924.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309924.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309924.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).	4309924.cif