Crystallography Open Database

Information card for entry 7004364

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Coordinates	7004364.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H52 F12 N5 O5 P3 Ru
Calculated formula	C40 H52 F12 N5 O5 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	22.5924 ± 0.0009 Å
b	13.7879 ± 0.0007 Å
c	15.367 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	4786.8 ± 0.4 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0575
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1281
Weighted residual factors for all reflections included in the refinement	0.1336
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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