Crystallography Open Database

Information card for entry 4073620

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Coordinates	4073620.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H32 Cl2 O3 P2 Ru
Calculated formula	C40 H32 Cl2 O3 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	20.0815 ± 0.0012 Å
b	9.2617 ± 0.0005 Å
c	20.7209 ± 0.0013 Å
α	90°
β	111.883 ± 0.006°
γ	90°
Cell volume	3576.2 ± 0.4 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0493
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0709
Weighted residual factors for all reflections included in the refinement	0.0752
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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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