Crystallography Open Database

Information card for entry 7050626

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Coordinates	7050626.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H63 Cl N2 P2 Ru
Calculated formula	C35 H63 Cl N2 P2 Ru
Title of publication	Double C(sp3) dehydrogenation as a route to coordinated Arduengo carbenes: experiment and computation on comparative ?-acidityElectronic supplementary information (ESI) available: crystallographic data. See http://www.rsc.org/suppdata/nj/b3/b305249d/
Authors of publication	Ho, Victoria M.; Watson, Lori A.; Huffman, John C.; Caulton, Kenneth G.
Journal of publication	New Journal of Chemistry
Year of publication	2003
Journal volume	27
Journal issue	10
Pages of publication	1446
a	18.8912 ± 0.0006 Å
b	19.2995 ± 0.0006 Å
c	20.7963 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	7582.1 ± 0.4 Å³
Cell temperature	113 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for all reflections included in the refinement	0.0286
Goodness-of-fit parameter for all reflections included in the refinement	0.6433
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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