Crystallography Open Database

Information card for entry 4118727

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Structure parameters

Formula	C44 H40
Calculated formula	C22 H18
SMILES	c1cc(ccc1C#C)C1=C(c2ccc(C#C)cc2)CCCC1
Title of publication	Ruthenium Stilbenyl and Diruthenium Distyrylethene Complexes: Aspects of Electron Delocalization and Electrocatalyzed Isomerization of the Z-Isomer
Authors of publication	Michael Linseis; Stanislav Záliš; Manfred Zabel; Rainer F. Winter
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	16671 - 16692
a	9.2604 ± 0.0011 Å
b	9.6988 ± 0.0012 Å
c	10.6668 ± 0.0014 Å
α	96.074 ± 0.015°
β	114.763 ± 0.014°
γ	107.175 ± 0.014°
Cell volume	801.5 ± 0.2 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 ± 1 K
Number of distinct elements	2
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0996
Residual factor for significantly intense reflections	0.077
Weighted residual factors for significantly intense reflections	0.1913
Weighted residual factors for all reflections included in the refinement	0.2048
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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