Crystallography Open Database

Information card for entry 1552869

Preview

Coordinates	1552869.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H37 Au Cl3 N2 P3
Calculated formula	C47 H37 Au Cl3 N2 P3
SMILES	C(=[P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#N)[P]([Au]Cl)(C(=[P](c1ccccc1)(c1ccccc1)c1ccccc1)C#N)c1ccccc1.ClCCl
Title of publication	Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations
Authors of publication	Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H.
Journal of publication	Catalysis Science & Technology
Year of publication	2019
a	12.5994 ± 0.0008 Å
b	13.2954 ± 0.0008 Å
c	13.5256 ± 0.0008 Å
α	70.09 ± 0.005°
β	84.549 ± 0.005°
γ	78.391 ± 0.005°
Cell volume	2085.9 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0255
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.0585
Weighted residual factors for all reflections included in the refinement	0.0593
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
227739 (current)	2019-11-14	cif/ Adding structures of 1552866, 1552867, 1552868, 1552869, 1552870, 1552871, 1552872, 1552873, 1552874, 1552875 via cif-deposit CGI script.	1552869.cif