Crystallography Open Database

Information card for entry 4306659

Preview

Coordinates	4306659.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H21 Cl F6 N6 O0.5 P Ru
Calculated formula	C28 H20 Cl F6 N6 O0.25 P Ru
Title of publication	Mononuclear Ruthenium(II) Complexes That Catalyze Water Oxidation
Authors of publication	Huan-Wei Tseng; Ruifa Zong; James T. Muckerman; Randolph Thummel
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	11763 - 11773
a	29.8331 ± 0.0011 Å
b	8.7588 ± 0.0003 Å
c	21.1705 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	5531.9 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	8
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0515
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0722
Weighted residual factors for all reflections included in the refinement	0.0823
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	Yes
Has F_obs	No

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