Crystallography Open Database

Information card for entry 4071756

Preview

Coordinates	4071756.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H51 O4.5 Ru2
Calculated formula	C41 H50 O4.5 Ru2
Title of publication	Preparation and Properties of Diruthenium Hydrido Complexes Having a Bridging Benzoquinone Ligand: Formation of an Alcohol Adduct of a μ-η2:η2-Benzoquinone Complex through Hydrogen Bonding
Authors of publication	Takao, Toshiro; Akiyoshi, Kazunori; Suzuki, Hiroharu
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	16
Pages of publication	4199
a	8.6409 ± 0.00016 Å
b	33.732 ± 0.0006 Å
c	13.1044 ± 0.0003 Å
α	90°
β	103.598 ± 0.0007°
γ	90°
Cell volume	3712.54 ± 0.13 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0217
Residual factor for significantly intense reflections	0.0192
Weighted residual factors for significantly intense reflections	0.0494
Weighted residual factors for all reflections included in the refinement	0.0508
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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