Crystallography Open Database

Information card for entry 7028540

Preview

Coordinates	7028540.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H42 Mn2 N10 O18
Calculated formula	C40 H42 Mn2 N10 O18
Title of publication	Dinuclear Mn(ii,ii) complexes: magnetic properties and microwave assisted oxidation of alcohols.
Authors of publication	Sutradhar, Manas; Martins, Luísa M D R S; Guedes da Silva, M Fátima C; Alegria, Elisabete C. B. A.; Liu, Cai-Ming; Pombeiro, Armando J. L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	10
Pages of publication	3966 - 3977
a	27.7167 ± 0.0012 Å
b	10.8872 ± 0.0005 Å
c	19.674 ± 0.001 Å
α	90°
β	126.382 ± 0.001°
γ	90°
Cell volume	4779.6 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0908
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1331
Weighted residual factors for all reflections included in the refinement	0.1469
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179991 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/85.	7028540.cif
105357	2014-03-12	cif/ Adding structures of 7028539, 7028540, 7028541, 7028542, 7028543 via cif-deposit CGI script.	7028540.cif