Crystallography Open Database

Information card for entry 7041974

7041973 << 7041974 >> 7041975

Preview

Coordinates	7041974.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H74 Au B N6
Calculated formula	C58 H74 Au B N6
SMILES	[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C1(N(C=CN1C1CCCCC1)C1CCCCC1)=[Au]=C1N(C=CN1C1CCCCC1)C1CCCCC1.N#CC.N#CC
Title of publication	From metallic gold to [Au(NHC)2](+) complexes: an easy, one-pot method.
Authors of publication	Lozada-Rodríguez, Leticia; Pelayo-Vázquez, José B; Rangel-Salas, Irma I; Alvarado-Rodríguez, José G; Peregrina-Lucano, A Aarón; Pérez-Centeno, Armando; López-Dellamary-Toral, Fernando A; Cortes-Llamas, Sara A
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	12
Pages of publication	3809 - 3811
a	19.8465 ± 0.0007 Å
b	12.1654 ± 0.0003 Å
c	24.9606 ± 0.001 Å
α	90°
β	115.822 ± 0.005°
γ	90°
Cell volume	5424.8 ± 0.4 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.0308
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.058
Weighted residual factors for all reflections included in the refinement	0.0595
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation probe	x-ray
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
195118 (current)	2017-04-05	cif/ Updating files of 7041969, 7041970, 7041971, 7041972, 7041973, 7041974 Original log message: Adding full bibliography for 7041969--7041974.cif.	7041974.cif
191923	2017-02-09	cif/ Adding structures of 7041969, 7041970, 7041971, 7041972, 7041973, 7041974 via cif-deposit CGI script.	7041974.cif