Crystallography Open Database

Information card for entry 4071761

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Coordinates	4071761.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42.5 H52 Cl8 N3 P Ru
Calculated formula	C42.5 H46 Cl8 N3 P Ru
Title of publication	Isocyanide-Promoted Ylidene Transfer to Phosphorus: Rearrangement in the First-Generation Grubbs Complex
Authors of publication	Galan, Brandon R.; Pitak, Mateusz; Keister, Jerome B.; Diver, Steven T.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	15
Pages of publication	3630
a	11.2488 ± 0.0002 Å
b	15.0628 ± 0.0002 Å
c	15.3236 ± 0.0002 Å
α	66.061 ± 0.001°
β	78.15 ± 0.001°
γ	89.338 ± 0.001°
Cell volume	2315 ± 0.06 Å³
Cell temperature	90 ± 1 K
Ambient diffraction temperature	90 ± 1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0317
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0728
Weighted residual factors for all reflections included in the refinement	0.0769
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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