Crystallography Open Database

Information card for entry 4101975

4101974 << 4101975 >> 4101976

Preview

Coordinates	4101975.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H26 Br2 Cl2 Mn N4 O9
Calculated formula	C20 H26 Br2 Cl2 Mn N4 O9
Title of publication	A Series of Peroxomanganese(III) Complexes Supported by Tetradentate Aminopyridyl Ligands: Detailed Spectroscopic and Computational Studies
Authors of publication	Robert A. Geiger; Swarup Chattopadhyay; Victor W. Day; Timothy A. Jackson
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	2821 - 2831
a	9.8008 ± 0.0005 Å
b	17.9804 ± 0.001 Å
c	15.157 ± 0.0008 Å
α	90°
β	96.511 ± 0.001°
γ	90°
Cell volume	2653.8 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0603
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.0854
Weighted residual factors for all reflections included in the refinement	0.0908
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
178765 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/19.	4101975.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4101975.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101975.cif
24794	2011-09-07	../uploads/cif-deposit/cod/cif Adding structures of 4101975 via cif-deposit CGI script.	4101975.cif