Crystallography Open Database

Information card for entry 7041597

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Coordinates	7041597.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H50 Cl4 O8 P2 Pd2
Calculated formula	C57 H50 Cl4 O8 P2 Pd2
Title of publication	Efficient access to a designed phosphapalladacycle catalyst via enantioselective catalytic asymmetric hydrophosphination.
Authors of publication	Li, Xi-Rui; Yang, Xiang-Yuan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	4
Pages of publication	1311 - 1316
a	10.97 ± 0.0001 Å
b	19.8122 ± 0.0002 Å
c	12.5607 ± 0.0001 Å
α	90°
β	108.499 ± 0.0006°
γ	90°
Cell volume	2588.89 ± 0.04 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.034
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0816
Weighted residual factors for all reflections included in the refinement	0.0829
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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