Crystallography Open Database

Information card for entry 4519389

4519388 << 4519389 >> 4519390

Preview

Coordinates	4519389.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H55 Au Cl P
Calculated formula	C40 H55 Au Cl P
SMILES	[Au](Cl)[P](c1c(cccc1c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(C)C.c1ccccc1
Title of publication	Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts
Authors of publication	Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús
Journal of publication	ACS Catalysis
Year of publication	2022
Journal volume	12
Journal issue	7
Pages of publication	4227 - 4241
a	54.233 ± 0.008 Å
b	14.371 ± 0.002 Å
c	32.268 ± 0.005 Å
α	90°
β	102.216 ± 0.009°
γ	90°
Cell volume	24580 ± 6 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1113
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.1473
Weighted residual factors for all reflections included in the refinement	0.179
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301408 (current)	2025-07-30	Fixing Z values and formulae	4519389.cif
274245	2022-04-03	cif/ Adding structures of 4519389 via cif-deposit CGI script.	4519389.cif