Crystallography Open Database

Information card for entry 4320843

4320842 << 4320843 >> 4320844

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Coordinates	4320843.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H64 N12 Ru
Calculated formula	C58 H62 N12 Ru
Title of publication	A Bibenzimidazole-Containing Ruthenium(II) Complex Acting as a Cation-Driven Molecular Switch
Authors of publication	Sven Rau; Torsten Büttner; Christian Temme; Mario Ruben; Helmar Görls; Dirk Walther; Marco Duati; Stefano Fanni; Johannes G. Vos
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	1621 - 1624
a	12.1521 ± 0.0005 Å
b	16.6632 ± 0.0006 Å
c	27.464 ± 0.001 Å
α	90°
β	95.971 ± 0.002°
γ	90°
Cell volume	5531.1 ± 0.4 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	4
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	0.0996
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.1189
Weighted residual factors for all reflections included in the refinement	0.1316
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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