Crystallography Open Database

Information card for entry 4309588

Preview

Coordinates	4309588.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H72 Mn N8 O16 Ru2
Calculated formula	C46 H58 Mn N8 O16 Ru2
Title of publication	Heterometallic MIIRuIII2 Compounds Constructed from trans-[Ru(Salen)(CN)2]- and trans-[Ru(Acac)2(CN)2]-. Synthesis, Structures, Magnetic Properties, and Density Functional Theoretical Study
Authors of publication	Wai-Fun Yeung; Pui-Ha Lau; Tai-Chu Lau; Hai-Yan Wei; Hao-Ling Sun; Song Gao; Zhi-Da Chen; Wing-Tak Wong
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	6579 - 6590
a	13.4134 ± 0.0007 Å
b	18.1077 ± 0.0009 Å
c	12.8645 ± 0.0006 Å
α	90°
β	103.853 ± 0.01°
γ	90°
Cell volume	3033.7 ± 0.3 Å³
Cell temperature	298.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.039
Weighted residual factors for all reflections included in the refinement	0.048
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4309588.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309588.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309588.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309588.cif