Crystallography Open Database

Information card for entry 4114952

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Coordinates	4114952.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H76 Ni P2
Calculated formula	C48 H73.5976 Ni P2
Title of publication	Preparation of Benzyne Complexes of Group 10 Metals by Intramolecular Suzuki Coupling of ortho-Metalated Phenylboronic Esters: Molecular Structure of the First Benzyne-Palladium(0) Complex
Authors of publication	Mikael Retbøll; Alison J. Edwards; A. David Rae; Anthony C. Willis; Martin A. Bennett; Eric Wenger
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	8348 - 8360
a	9.9982 ± 0.0001 Å
b	28.9827 ± 0.0003 Å
c	15.1034 ± 0.0002 Å
α	90°
β	96.1217 ± 0.0005°
γ	90°
Cell volume	4351.63 ± 0.09 Å³
Cell temperature	200 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for all reflections included in the refinement	0.0452
Goodness-of-fit parameter for all reflections included in the refinement	1.0867
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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