Crystallography Open Database

Information card for entry 4022198

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Coordinates	4022198.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H36 Cl6 P2 Pt
Calculated formula	C46 H36 Cl6 P2 Pt
Title of publication	Asymmetric Platinum Group Metal-Catalyzed Carbonyl-Ene Reactions: Carbon-Carbon Bond Formation versus Isomerization
Authors of publication	Simon Doherty; Julian G. Knight; Catherine H. Smyth; Ross W. Harrington; William Clegg
Journal of publication	Journal of Organic Chemistry
Year of publication	2006
Journal volume	71
Pages of publication	9751 - 9764
a	12.7643 ± 0.0015 Å
b	14.9692 ± 0.0017 Å
c	22.258 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4253 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0317
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.054
Weighted residual factors for all reflections included in the refinement	0.0555
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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