Crystallography Open Database

Information card for entry 7044194

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Coordinates	7044194.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H31 Cl2 N9 O7 Ru
Calculated formula	C29 H21 Cl2 N9 O7 Ru
Title of publication	A ruthenium water oxidation catalyst containing a bipyridine glycoluril ligand
Authors of publication	Mane, Vishwanath shesherao; Kumbhar, Avinash; Thummel, Randolph P.
Journal of publication	Dalton Trans.
Year of publication	2017
a	14.1145 ± 0.0002 Å
b	16.1624 ± 0.0002 Å
c	28.696 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	6546.25 ± 0.14 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.2675
Residual factor for significantly intense reflections	0.1104
Weighted residual factors for significantly intense reflections	0.2809
Weighted residual factors for all reflections included in the refinement	0.3908
Goodness-of-fit parameter for all reflections included in the refinement	1.207
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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