Crystallography Open Database

Information card for entry 4067309

Preview

Coordinates	4067309.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30.5 H30.5 Cl3.5 O2 P2 Pd
Calculated formula	C30.5 H30.5 Cl3.5 O2 P2 Pd
Title of publication	Palladium Template Promoted Asymmetric Synthesis of 1,2-Diphosphines by Hydrophosphination of Functionalized Allenes
Authors of publication	Huang, Yinhua; Pullarkat, Sumod A.; Yuan, Mingjun; Ding, Yi; Li, Yongxin; Leung, Pak-Hing
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	3
Pages of publication	536
a	10.9534 ± 0.0008 Å
b	13.6798 ± 0.001 Å
c	41.156 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	6166.8 ± 0.8 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.0856
Residual factor for significantly intense reflections	0.0748
Weighted residual factors for significantly intense reflections	0.1671
Weighted residual factors for all reflections included in the refinement	0.1768
Goodness-of-fit parameter for all reflections included in the refinement	1.236
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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