Crystallography Open Database

Information card for entry 4519384

4519383 << 4519384 >> 4519385

Preview

Coordinates	4519384.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H49 Au F6 P Sb
Calculated formula	C31 H49 Au F6 P Sb
SMILES	[Au]1([P](c2ccccc2c2c(cc(cc2C(C)C)C(C)C)C(C)C)(C(C)(C)C)C(C)(C)C)[CH2]=[CH2]1.[Sb](F)(F)(F)(F)([F-])F
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	8.7636 ± 0.0007 Å
b	13.6876 ± 0.0012 Å
c	28.412 ± 0.002 Å
α	86.489 ± 0.003°
β	89.678 ± 0.003°
γ	77.831 ± 0.003°
Cell volume	3325.2 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0832
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.1175
Weighted residual factors for all reflections included in the refinement	0.1311
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
274240 (current)	2022-04-03	cif/ Adding structures of 4519384 via cif-deposit CGI script.	4519384.cif