Crystallography Open Database

Information card for entry 7062415

Preview

Coordinates	7062415.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H38 P2 Pd
Calculated formula	C46 H38 P2 Pd
Title of publication	On the nature of optical activity in chiral transition metal complexes: [Pd(Me)2(BINAP)]
Authors of publication	Fehn, Natalie; Strauss, Melanie; Jandl, Christian; Drees, Markus; Heiz, Ueli; Köhler, Klaus; Kartouzian, Aras
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	17
Pages of publication	7961 - 7964
a	11.8884 ± 0.0006 Å
b	11.4981 ± 0.0005 Å
c	13.7715 ± 0.0007 Å
α	90°
β	109.11 ± 0.002°
γ	90°
Cell volume	1778.74 ± 0.15 Å³
Cell temperature	103 K
Ambient diffraction temperature	103 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0327
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0515
Weighted residual factors for all reflections included in the refinement	0.0531
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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