Crystallography Open Database

Information card for entry 7710745

Preview

Coordinates	7710745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H106 Au Cl N O28 P
Calculated formula	C66 H106 Au Cl N O28 P
SMILES	[C@H]12[C@@H]([C@H]([C@H]3[C@@H](C[P@](C[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O[C@H]5[C@@H]([C@H]([C@@H](O[C@H]6[C@@H]([C@H]([C@@H](O[C@H]7[C@@H]([C@H]([C@@H](O[C@H]8[C@@H]([C@H]([C@@H](O3)O[C@@H]8COC)OC)OC)O[C@@H]7COC)OC)OC)O[C@@H]6COC)OC)OC)O[C@@H]5COC)OC)OC)O4)OC)OC)O1)(c1ccccc1N(C)C)[Au]Cl)O2)OC)OC.c1ccccc1
Title of publication	A cavity-shaped <i>cis</i>-chelating P,N ligand for highly selective nickel-catalysed ethylene dimerisation.
Authors of publication	Li, Yang; Pelzer, Katrin; Sechet, Damien; Creste, Geordie; Matt, Dominique; Braunstein, Pierre; Armspach, Dominique
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
a	38.308 ± 0.002 Å
b	14.1787 ± 0.0008 Å
c	15.486 ± 0.0009 Å
α	90°
β	93.007 ± 0.002°
γ	90°
Cell volume	8399.8 ± 0.8 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.043
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.1012
Goodness-of-fit parameter for all reflections included in the refinement	1.149
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
276837 (current)	2022-07-23	cif/ Adding structures of 7710741, 7710742, 7710743, 7710744, 7710745, 7710746 via cif-deposit CGI script.	7710745.cif