Crystallography Open Database

Information card for entry 4109810

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Structure parameters

Formula	C69 H54 B F6 N10 O2 P Ru
Calculated formula	C69 H54 B F6 N10 O2 P Ru
SMILES	[Ru]1234([n]5ccccc5c5[n]1c(cc(c5)c1ccc(cc1)C(=O)O)c1[n]2cccc1)[n]1ccccc1c1[n]3c(nc(n1)c1ccccc1)c1[n]4cccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC
Title of publication	Self-Assembled Light-Harvesting Systems: Ru(II) Complexes Assembled about Rh-Rh Cores
Authors of publication	Michael W. Cooke; Garry S. Hanan; Frédérique Loiseau; Sebastiano Campagna; Masashi Watanabe; Yasutaka Tanaka
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	10479 - 10488
a	12.9474 ± 0.0003 Å
b	13.3066 ± 0.0003 Å
c	19.128 ± 0.0004 Å
α	90.348 ± 0.002°
β	93.154 ± 0.001°
γ	110.644 ± 0.001°
Cell volume	3078.06 ± 0.12 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 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	0.0662
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1361
Weighted residual factors for all reflections included in the refinement	0.1437
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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