Crystallography Open Database

Information card for entry 4088251

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Coordinates	4088251.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H46 Cl8 O9 P2 Pd
Calculated formula	C51 H46 Cl8 O9 P2 Pd
Title of publication	Palladium-Based Supramolecularly Regulated Catalysts for Asymmetric Allylic Substitutions
Authors of publication	Rovira, Laura; Fernández-Pérez, Héctor; Vidal-Ferran, Anton
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	4
Pages of publication	528
a	11.752 ± 0.003 Å
b	13.584 ± 0.004 Å
c	32.731 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	5225 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.099
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.0931
Weighted residual factors for all reflections included in the refinement	0.1099
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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