Crystallography Open Database

Information card for entry 4303996

Preview

Coordinates	4303996.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65.5 H67 Cl F18 N12 O4.5 P3 Ru2
Calculated formula	C60.52 H48 Cl F17.1 N12 O1.25 P2.85 Ru2
Title of publication	Preparation and Study of a Family of Dinuclear Ru(II) Complexes That Catalyze the Decomposition of Water
Authors of publication	Zeping Deng; Huan-Wei Tseng; Ruifa Zong; Dong Wang; Randolph Thummel
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	1835 - 1848
a	12.4189 ± 0.0007 Å
b	15.5016 ± 0.0009 Å
c	19.7313 ± 0.0012 Å
α	88.743 ± 0.001°
β	74.697 ± 0.001°
γ	71.138 ± 0.001°
Cell volume	3458.7 ± 0.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.0767
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1613
Weighted residual factors for all reflections included in the refinement	0.1769
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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