Crystallography Open Database

Information card for entry 4066560

Preview

Coordinates	4066560.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25.25 H33 B Cl0.5 F3 N3 O8 Rh S
Calculated formula	C25.25 H32 B Cl0.5 F3 N3 O8 Rh S
Title of publication	Reactions of Tris(oxazolinyl)phenylborato Rhodium(I) with C−X (X = Cl, Br, OTf) Bonds: Stereoselective Intermolecular Oxidative Addition
Authors of publication	Ho, Hung-An; Dunne, James F.; Ellern, Arkady; Sadow, Aaron D.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	18
Pages of publication	4105
a	16.0976 ± 0.0007 Å
b	9.3701 ± 0.0004 Å
c	21.069 ± 0.0009 Å
α	90°
β	103.651 ± 0.001°
γ	90°
Cell volume	3088.2 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	9
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	0.0473
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1139
Weighted residual factors for all reflections included in the refinement	0.1185
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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