Crystallography Open Database

Information card for entry 4330797

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Coordinates	4330797.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H67 F12 N9 O6 P2 Ru
Calculated formula	C79 H67 F12 N9 O6 P2 Ru
Title of publication	A Bis(terpyridine)ruthenium Complex with Three Redox-Active Amine Sites: Electrochemical, Optical, and Computational Studies
Authors of publication	You-Ming Zhang; Si-Hai Wu; Chang-Jiang Yao; Hai-Jing Nie; Yu-Wu Zhong
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	11387 - 11395
a	14.385 ± 0.003 Å
b	21.304 ± 0.004 Å
c	29.448 ± 0.006 Å
α	90°
β	99.19 ± 0.03°
γ	90°
Cell volume	8909 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1434
Residual factor for significantly intense reflections	0.0984
Weighted residual factors for significantly intense reflections	0.2645
Weighted residual factors for all reflections included in the refinement	0.2987
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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