Crystallography Open Database

Information card for entry 7229600

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Coordinates	7229600.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H78 F12 N2 O P6 Pd2 S4
Calculated formula	C82 H78 F12 N2 O P6 Pd2 S4
Title of publication	From recovered metal waste to high-performance palladium catalysts
Authors of publication	Jantan, Khairil Anuar; Kwok, Chuek Yee; Chan, Kuang Wen; Marchiò, Luciano; White, Andrew J. P.; Deplano, Paola; Serpe, Angela; Wilton-Ely, James
Journal of publication	Green Chemistry
Year of publication	2017
a	20.6104 ± 0.0005 Å
b	15.5218 ± 0.0004 Å
c	26.8129 ± 0.0009 Å
α	90°
β	107.289 ± 0.003°
γ	90°
Cell volume	8190.2 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0697
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.0969
Weighted residual factors for all reflections included in the refinement	0.1084
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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