Crystallography Open Database

Information card for entry 4519386

4519385 << 4519386 >> 4519387

Preview

Coordinates	4519386.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H67 Au Cl P
Calculated formula	C46 H67 Au Cl P
SMILES	[Au](Cl)[P](c1c(cccc1c1cc(cc(C(C)(C)C)c1)C(C)(C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(C1CCCCC1)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	12.6694 ± 0.0002 Å
b	18.1472 ± 0.0004 Å
c	18.894 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4344 ± 0.15 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0267
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0393
Weighted residual factors for all reflections included in the refinement	0.0404
Goodness-of-fit parameter for all reflections included in the refinement	0.862
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
274242 (current)	2022-04-03	cif/ Adding structures of 4519386 via cif-deposit CGI script.	4519386.cif