Crystallography Open Database

Information card for entry 4104765

Preview

Coordinates	4104765.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 N4 O4 Ru
Calculated formula	C24 H20 N4 O4 Ru
SMILES	C1(=O)c2cccc3c4cccc5C(=O)O[Ru]([n]23)([n]45)([n]2ccc(cc2)C)([n]2ccc(cc2)C)O1
Title of publication	Isolated Seven-Coordinate Ru(IV) Dimer Complex with [HOHOH]-Bridging Ligand as an Intermediate for Catalytic Water Oxidation
Authors of publication	Lele Duan; Andreas Fischer; Yunhua Xu; Licheng Sun
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	10397 - 10399
a	8.168 ± 0.009 Å
b	10.273 ± 0.012 Å
c	15.11 ± 0.04 Å
α	74.76 ± 0.13°
β	80.9 ± 0.2°
γ	73.56 ± 0.08°
Cell volume	1168 ± 4 Å³
Cell temperature	298 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0824
Residual factor for significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.132
Weighted residual factors for all reflections included in the refinement	0.1445
Goodness-of-fit parameter for all reflections included in the refinement	1.136
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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