Crystallography Open Database

Information card for entry 4110252

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Coordinates	4110252.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H51 F6 O3 P3 Ru
Calculated formula	C59 H51 F6 O3 P3 Ru
Title of publication	Intramolecular Cyclization of Ruthenium Vinylidene Complexes with a Tethering Vinyl Group: Facile Cleavage and Reconstruction of the C-C Double Bond
Authors of publication	Cheng-Wei Cheng; Yi-Chun Kuo; Shu-Hao Chang; Ying-Chih Lin; Yi-Hong Liu; Yu Wang
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	14974 - 14980
a	16.5383 ± 0.0002 Å
b	15.399 ± 0.0003 Å
c	20.8194 ± 0.0004 Å
α	90°
β	104.896 ± 0.001°
γ	90°
Cell volume	5123.96 ± 0.16 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1145
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.105
Weighted residual factors for all reflections included in the refinement	0.1291
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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