Crystallography Open Database

Information card for entry 7244563

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Coordinates	7244563.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H26 Cl2 F12 O4 P2 Pd
Calculated formula	C42 H26 Cl2 F12 O4 P2 Pd
Title of publication	Preparation of carboxylic arylphosphines by hydrolysis of the trifluoromethyl group
Authors of publication	Herrera, Daniel; Peral, Daniel; Bayón, J. Carles
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	12
Pages of publication	7103 - 7114
a	10.1026 ± 0.0005 Å
b	27.1594 ± 0.0013 Å
c	36.7299 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	10078 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1889
Residual factor for significantly intense reflections	0.0832
Weighted residual factors for significantly intense reflections	0.2291
Weighted residual factors for all reflections included in the refinement	0.2908
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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