Crystallography Open Database

Information card for entry 7004366

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Coordinates	7004366.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H40 F12 N5 P3 Ru
Calculated formula	C34 H40 F12 N5 P3 Ru
Title of publication	Broad HOMO‒LUMO gap tuning through the coordination of a single phosphine, aminophosphine or phosphite onto a Ru(tpy)(bpy)2+ core
Authors of publication	Dixon, Isabelle M.; Lebon, Emilie; Loustau, Gilles; Sutra, Pierre; Vendier, Laure; Igau, Alain; Juris, Alberto
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	41
Pages of publication	5627 - 5635
a	14.9512 ± 0.0009 Å
b	15.1059 ± 0.001 Å
c	20.1824 ± 0.0014 Å
α	103.205 ± 0.006°
β	97.589 ± 0.005°
γ	102.186 ± 0.005°
Cell volume	4259.2 ± 0.5 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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 all reflections	0.1208
Residual factor for significantly intense reflections	0.0842
Weighted residual factors for significantly intense reflections	0.2326
Weighted residual factors for all reflections included in the refinement	0.2527
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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