Crystallography Open Database

Information card for entry 4077120

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Coordinates	4077120.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H24 B Cl10 F13 P Rh S
Calculated formula	C32 H24 B Cl10 F13 P Rh S
Title of publication	Intramolecular Dehydrofluorinative Coupling of η5-Pentamethylcyclopentadienyl and Pentafluorophenylphosphine Ligands in Rhodium Complexes
Authors of publication	Bellabarba, Ronan M.; Nieuwenhuyzen, Mark; Saunders, Graham C.
Journal of publication	Organometallics
Year of publication	2002
Journal volume	21
Journal issue	26
Pages of publication	5726
a	11.6484 ± 0.0009 Å
b	11.7516 ± 0.001 Å
c	17.7351 ± 0.0014 Å
α	93.233 ± 0.002°
β	102.549 ± 0.001°
γ	112.306 ± 0.001°
Cell volume	2166.3 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0701
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.11
Weighted residual factors for all reflections included in the refinement	0.1204
Goodness-of-fit parameter for all reflections included in the refinement	0.935
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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