Crystallography Open Database

Information card for entry 7717020

Preview

Coordinates	7717020.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52.45 H53.8 Au Cl F6 P3 S0.85
Calculated formula	C52.45 H53.8 Au Cl F6 P3 S0.85
Title of publication	Post-metallation functionalization of the [(C^C)Au(P^P)]<sup>+</sup> scaffold through a hydrothiolation reaction.
Authors of publication	Yang, Jeannine; Soep, Clément; Forté, Jérémy; Dossmann, Héloïse; Bertrand, Benoît
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	39
Pages of publication	16144 - 16148
a	20.5099 ± 0.0007 Å
b	18.1939 ± 0.0007 Å
c	14.1942 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	5296.6 ± 0.4 Å³
Cell temperature	200.01 K
Ambient diffraction temperature	200.01 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	0.0367
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0925
Weighted residual factors for all reflections included in the refinement	0.0939
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
296543 (current)	2024-12-06	cif/ Updating files of 7717019, 7717020, 7717021, 7717022 Original log message: Adding full bibliography for 7717019--7717022.cif.	7717020.cif
294801	2024-09-20	cif/ Adding structures of 7717019, 7717020, 7717021, 7717022 via cif-deposit CGI script.	7717020.cif