Crystallography Open Database

Information card for entry 7016090

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Coordinates	7016090.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H38.25 F12 N3 O0.63 P4 Ru S3
Calculated formula	C51 H37 F12 N3 O0.626 P4 Ru S3
Title of publication	Photophysical and electrochemical properties of Ru(ii) complexes containing tridentate bisphosphino-oligothiophene ligands.
Authors of publication	Kuchison, Angela M.; Wolf, Michael O.; Patrick, Brian O.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	26
Pages of publication	6912 - 6921
a	23.1585 ± 0.0018 Å
b	17.9103 ± 0.0013 Å
c	24.1797 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	10029.2 ± 1.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0976
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.1149
Weighted residual factors for all reflections included in the refinement	0.1323
Goodness-of-fit parameter for all reflections included in the refinement	1.152
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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