Crystallography Open Database

Information card for entry 7705065

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Structure parameters

Formula	C48 H78 Ag12 N18 O18 S6
Calculated formula	C48 H78 Ag12 N18 O18 S6
Title of publication	<i>tert</i>-Butyl thiol and pyridine ligand co-protected 50-nuclei clusters: the effect of pyridines on Ag-SR bonds.
Authors of publication	Shen, Yang-Lin; Jin, Jun-Ling; Xie, Yun-Peng; Lu, Xing
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	36
Pages of publication	12574 - 12580
a	24.5159 ± 0.0007 Å
b	24.5159 ± 0.0007 Å
c	11.1964 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	5827.8 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0154
Residual factor for significantly intense reflections	0.0144
Weighted residual factors for significantly intense reflections	0.0366
Weighted residual factors for all reflections included in the refinement	0.0369
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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
301878 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure.	7705065.cif
257537	2020-10-06	cif/ Updating files of 7705063, 7705064, 7705065, 7705066, 7705067, 7705068 Original log message: Adding full bibliography for 7705063--7705068.cif.	7705065.cif
255198	2020-08-08	cif/ Adding structures of 7705063, 7705064, 7705065, 7705066, 7705067, 7705068 via cif-deposit CGI script.	7705065.cif