Crystallography Open Database

Information card for entry 4112524

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Coordinates	4112524.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H30 Cl4 P2 Pt Sn
Calculated formula	C29 H30 Cl4 P2 Pt Sn
Title of publication	Reversal of Enantioselectivity in the Hydroformylation of Styrene with [2S,4S-BDPP]Pt(SnCl3)Cl at High Temperature Arises from a Change in the Enantioselective-Determining Step
Authors of publication	Charles P. Casey; Susie C. Martins; Maureen A. Fagan
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	5585 - 5592
a	9.4421 ± 0.0012 Å
b	18.289 ± 0.002 Å
c	55.173 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	9528 ± 2 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.2092
Residual factor for significantly intense reflections	0.0856
Weighted residual factors for significantly intense reflections	0.1649
Weighted residual factors for all reflections included in the refinement	0.204
Goodness-of-fit parameter for all reflections included in the refinement	0.981
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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