Crystallography Open Database

Information card for entry 7024706

Preview

Coordinates	7024706.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H78 Cr4 Mn3 N12 O18 S6
Calculated formula	C41 H78 Cr4 Mn3 N12 O18 S6
Title of publication	Direct synthesis of an heterometallic {Mn(II)3Cr(III)4} wheel by decomposition of Reineckes salt.
Authors of publication	Semenaka, Valentyna V.; Nesterova, Oksana V.; Kokozay, Volodymyr N.; Zybatyuk, Roman I.; Shishkin, Oleg V.; Boca, Roman; Shevchenko, Denys V.; Huang, Ping; Styring, Stenbjörn
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	9
Pages of publication	2344 - 2349
a	19.9241 ± 0.0005 Å
b	22.2291 ± 0.0004 Å
c	17.157 ± 0.0004 Å
α	90°
β	100.299 ± 0.002°
γ	90°
Cell volume	7476.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0878
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1745
Weighted residual factors for all reflections included in the refinement	0.1831
Goodness-of-fit parameter for all reflections included in the refinement	0.996
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
179952 (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 7/02/47.	7024706.cif
92644	2014-01-12	cif/ Adding structures of 7024706 via cif-deposit CGI script.	7024706.cif