Crystallography Open Database

Information card for entry 7107970

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Coordinates	7107970.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H74 B2 F25 P3 Rh
Calculated formula	C59 H74.01 B2 F24.99 P3 Rh
Title of publication	Intermediates in the Rh-catalysed dehydrocoupling of phosphine-borane
Authors of publication	Miguel A. Huertos; Andrew S. Weller
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	7185
a	12.8587 ± 0.0001 Å
b	13.3769 ± 0.0001 Å
c	20.2366 ± 0.0002 Å
α	87.9016 ± 0.0004°
β	80.6774 ± 0.0004°
γ	82.2782 ± 0.0005°
Cell volume	3403.37 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0543
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.1087
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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