Crystallography Open Database

Information card for entry 4086879

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Coordinates	4086879.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H68 O1.5 P3 Ru
Calculated formula	C65 H68 O1.5 P3 Ru
Title of publication	Syntheses of RuHCl(CO)(PAr3)3 and RuH2(CO)(PAr3)3 Containing Various Triarylphosphines and Their Use for Arylation of Sterically Congested Aromatic C‒H Bonds
Authors of publication	Ogiwara, Yohei; Miyake, Masashi; Kochi, Takuya; Kakiuchi, Fumitoshi
Journal of publication	Organometallics
Year of publication	2017
Journal volume	36
Journal issue	1
Pages of publication	159
a	43.406 ± 0.002 Å
b	13.9274 ± 0.0006 Å
c	20.4289 ± 0.0008 Å
α	90°
β	109.573 ± 0.0013°
γ	90°
Cell volume	11636.3 ± 0.9 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.0856
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1153
Weighted residual factors for all reflections included in the refinement	0.1393
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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