Crystallography Open Database

Information card for entry 4313012

Preview

Coordinates	4313012.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H44 Cl Mn2 N5 O11
Calculated formula	C48 H44 Cl Mn2 N5 O10.5
Title of publication	Binuclear Manganese Compounds of Potential Biological Significance. 1. Syntheses and Structural, Magnetic, and Electrochemical Properties of Dimanganese(II) and -(II,III) Complexes of a Bridging Unsymmetrical Phenolate Ligand
Authors of publication	Lionel Dubois; Dao-Feng Xiang; Xian-Shi Tan; Jacques Pécaut; Peter Jones; Stéphane Baudron; Laurent Le Pape; Jean-Marc Latour; Carole Baffert; Sylvie Chardon-Noblat; Marie-Noëlle Collomb; Alain Deronzier
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	750 - 760
a	11.144 ± 0.006 Å
b	18.737 ± 0.01 Å
c	23.949 ± 0.013 Å
α	90°
β	95.91 ± 0.012°
γ	90°
Cell volume	4974 ± 5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.4166
Residual factor for significantly intense reflections	0.1097
Weighted residual factors for significantly intense reflections	0.2236
Weighted residual factors for all reflections included in the refinement	0.3235
Goodness-of-fit parameter for all reflections included in the refinement	0.874
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179183 (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 4/31/30.	4313012.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313012.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313012.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4313012.cif
6081	2011-01-10	../uploads/cif-deposit/cod/cif Adding structures of 4313012 via cif-deposit CGI script.	4313012.cif