Crystallography Open Database

Information card for entry 1572746

Preview

Coordinates	1572746.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H35 Au B Cl2 F5 N4
Calculated formula	C31 H35 Au B Cl2 F5 N4
Title of publication	CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.
Authors of publication	Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	42
Pages of publication	17618 - 17628
a	19.7358 ± 0.0014 Å
b	17.0365 ± 0.0014 Å
c	18.688 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	6283.4 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0941
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.0939
Weighted residual factors for all reflections included in the refinement	0.1078
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
296393 (current)	2024-12-06	cif/ Updating files of 1572736, 1572737, 1572738, 1572739, 1572740, 1572741, 1572742, 1572743, 1572744, 1572745, 1572746 Original log message: Adding full bibliography for 1572736--1572746.cif.	1572746.cif
294991	2024-10-03	cif/ Adding structures of 1572736, 1572737, 1572738, 1572739, 1572740, 1572741, 1572742, 1572743, 1572744, 1572745, 1572746 via cif-deposit CGI script.	1572746.cif