Crystallography Open Database

Information card for entry 4309590

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Coordinates	4309590.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H64 N8 Ni O12 Ru2
Calculated formula	C36 H52 N8 Ni O12 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	7.622 ± 0.001 Å
b	11.908 ± 0.001 Å
c	14.448 ± 0.001 Å
α	70.41 ± 0.01°
β	81.31 ± 0.01°
γ	87.32 ± 0.01°
Cell volume	1221.2 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.059
Weighted residual factors for all reflections included in the refinement	0.064
Goodness-of-fit parameter for all reflections included in the refinement	1.221
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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