Crystallography Open Database

Information card for entry 4110876

Preview

Coordinates	4110876.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H40 Au B Cl P
Calculated formula	C24 H40 Au B Cl P
SMILES	[Au]([P](C(C)C)(c1c(B(C2CCCCC2)C2CCCCC2)cccc1)C(C)C)Cl
Title of publication	On the Versatile and Unusual Coordination Behavior of Ambiphilic Ligands o-R2P(Ph)BR'2
Authors of publication	Sébastien Bontemps; Ghenwa Bouhadir; Karinne Miqueu; Didier Bourissou
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	12056 - 12057
a	8.4956 ± 0.0006 Å
b	9.4873 ± 0.0007 Å
c	17.5693 ± 0.0013 Å
α	81.632 ± 0.001°
β	76.498 ± 0.001°
γ	67.615 ± 0.001°
Cell volume	1270.67 ± 0.16 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0391
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0634
Weighted residual factors for all reflections included in the refinement	0.0782
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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