Crystallography Open Database

Information card for entry 4323629

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Coordinates	4323629.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(CuL)2Mn.2dmso
Chemical name	bis[N-(4-methyl-6-oxo-3-azahepta-4-enyl)-oxamato(3-)-kappa4N,N',O,O1- copper(II)]-kappa4O1', O2-manganese(II) (dimethylsulfoxide)2
Formula	C22 H34 Cu2 Mn N4 O10 S2
Calculated formula	C22 H34 Cu2 Mn N4 O10 S2
Title of publication	Magnetic Properties of a Series of Trinuclear Complexes (CuL)2Mn.xB (L Representing the Deprotonated Form of N-(4-Methyl-6-oxo-3-azahept-4-enyl)oxamic Acid and B Representing Respectively H2O (x= 5, 4.5, 3, 1), (CH3)2SO (x= 2), and C5H5N (x= 4)). Crystal and Molecular Structure of (CuL)2Mn.2(CH3)2SO
Authors of publication	Jean-Pierre Costes; Jean-Pierre Laurent; Jose Maria Moreno Sanchez; Jose Suarez Varela; Markku Ahlgren; Markku Sundberg
Journal of publication	Inorganic Chemistry
Year of publication	1997
Journal volume	36
Pages of publication	4641 - 4646
a	8.362 ± 0.002 Å
b	14.426 ± 0.003 Å
c	24.442 ± 0.006 Å
α	90°
β	92.28 ± 0.02°
γ	90°
Cell volume	2946.1 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.121
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for all reflections	0.1393
Weighted residual factors for significantly intense reflections	0.1106
Goodness-of-fit parameter for all reflections	1.036
Goodness-of-fit parameter for significantly intense reflections	1.112
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
179339 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/36.	4323629.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	4323629.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4323629.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4323629.cif
23877	2011-08-11	../uploads/cif-deposit/cod/cif Adding structures of 4323629 via cif-deposit CGI script.	4323629.cif