Crystallography Open Database

Information card for entry 7129929

Preview

Coordinates	7129929.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C204 H174 Au13 Cl24 Cu2 F6 P8 S6 Sb
Calculated formula	C204 H174 Au13 Cl24 Cu2 F6 P8 S6 Sb
SMILES	[Au]12345[Au]678([Au]9%10([Au]%11%12([Au]%13%14([Au]%15%161([Au]16([Au]6%17%15[Au]%152%11%13[Au]3796[S]([Cu]([S]%17c2ccc(cc2)C(C)(C)C)([S]%15c2ccc(cc2)C(C)(C)C)[P](c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c2ccc(cc2)C(C)(C)C)([Au]238%10[Au]64%12%14[Au]5%1612[S]([Cu]([S]6c1ccc(cc1)C(C)(C)C)([S]3c1ccc(cc1)C(C)(C)C)[P](c1ccc(cc1)Cl)(c1ccc(Cl)cc1)c1ccc(cc1)Cl)c1ccc(cc1)C(C)(C)C)[P](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[P](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[P](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[P](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[P](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[P](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.[Sb](F)(F)(F)(F)(F)[F-]
Title of publication	An insight, at the atomic level, into the intramolecular metallophilic interaction in nanoclusters
Authors of publication	Li, Hao; Zhou, Chuanjun; Wang, Endong; Kang, Xi; Xu, Wen Wu; Zhu, Manzhou
Journal of publication	Chemical Communications
Year of publication	2022
a	20.1117 ± 0.0007 Å
b	35.1137 ± 0.001 Å
c	36.6942 ± 0.0013 Å
α	90°
β	97.253 ± 0.003°
γ	90°
Cell volume	25706 ± 1.5 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0713
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.1073
Weighted residual factors for all reflections included in the refinement	0.1169
Goodness-of-fit parameter for all reflections included in the refinement	0.884
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
274357 (current)	2022-04-06	cif/ Adding structures of 7129929 via cif-deposit CGI script.	7129929.cif