Crystallography Open Database

Information card for entry 4073621

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Coordinates	4073621.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H43 O2 P2 Ru
Calculated formula	C55 H43 O2 P2 Ru
Title of publication	Snapshot of a Chelation-Assisted C−H/Alkyne Coupling: A Ruthenium Complex Caught in the Act of C−C Bond Formation
Authors of publication	Benhamou, Laure; César, Vincent; Lugan, Noël; Lavigne, Guy
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	18
Pages of publication	4673
a	33.6265 ± 0.0015 Å
b	12.5816 ± 0.0007 Å
c	20.6793 ± 0.001 Å
α	90°
β	90.588 ± 0.004°
γ	90°
Cell volume	8748.4 ± 0.8 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1182
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.098
Weighted residual factors for all reflections included in the refinement	0.1137
Goodness-of-fit parameter for all reflections included in the refinement	0.919
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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