Crystallography Open Database

Information card for entry 4111645

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Coordinates	4111645.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H85 B F10 N4 P2 Ru S5
Calculated formula	C76 H84.542 B F10 N4 P2 Ru S5
Title of publication	Reversible Molecular Switching of Ruthenium Bis(bipyridyl) Groups Bonded to Oligothiophenes: Effect on Electrochemical and Spectroscopic Properties
Authors of publication	Carolyn Moorlag; Michael O. Wolf; Cornelia Bohne; Brian O. Patrick
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	6382 - 6393
a	12.8576 ± 0.001 Å
b	14.6776 ± 0.0009 Å
c	20.1152 ± 0.001 Å
α	77.793 ± 0.007°
β	89.283 ± 0.007°
γ	87.576 ± 0.008°
Cell volume	3706.9 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1337
Residual factor for significantly intense reflections	0.0743
Weighted residual factors for significantly intense reflections	0.165
Weighted residual factors for all reflections included in the refinement	0.2162
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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