Crystallography Open Database

Information card for entry 4116503

Preview

Coordinates	4116503.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32.5 H31 B0.5 N0.5 P2 Pd
Calculated formula	C32.75 H29.5 B0.25 N0.5 P2 Pd
Title of publication	Reductive Elimination of Alkanes and Arenes from [Pd2R2(μ-H)(μ-dppm)2]PF6 Complexes
Authors of publication	Robert A. Stockland; Gordon K. Anderson; Nigam P. Rath
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Pages of publication	7945 - 7946
a	11.5028 ± 0.0001 Å
b	12.4083 ± 0.0001 Å
c	12.4609 ± 0.0002 Å
α	106.587 ± 0.001°
β	93.1 ± 0.001°
γ	116.809 ± 0.001°
Cell volume	1486.17 ± 0.04 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0689
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for all reflections	0.1445
Weighted residual factors for significantly intense reflections	0.1181
Goodness-of-fit parameter for all reflections	1.069
Goodness-of-fit parameter for significantly intense reflections	1.145
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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