Crystallography Open Database

Information card for entry 4349254

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Coordinates	4349254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H18 F6 N4 O4 Ru
Calculated formula	C32 H18 F6 N4 O4 Ru
Title of publication	Manipulating the Rate-Limiting Step in Water Oxidation Catalysis by Ruthenium Bipyridine-Dicarboxylate Complexes.
Authors of publication	Shaffer, David W.; Xie, Yan; Szalda, David J.; Concepcion, Javier J.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	22
Pages of publication	12024 - 12035
a	14.0455 ± 0.0011 Å
b	18.5907 ± 0.0011 Å
c	12.5395 ± 0.0007 Å
α	90°
β	118.838 ± 0.003°
γ	90°
Cell volume	2868.2 ± 0.3 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1308
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.1011
Weighted residual factors for all reflections included in the refinement	0.1153
Goodness-of-fit parameter for all reflections included in the refinement	0.973
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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