Crystallography Open Database

Information card for entry 7705068

Preview

Coordinates	7705068.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C164 H260 Ag50 B4 F16 N16 O6 S33
Calculated formula	C164 H260 Ag50 B4 F16 N16 O6 S33
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	20.8642 ± 0.0016 Å
b	22.8925 ± 0.0018 Å
c	27.241 ± 0.002 Å
α	90°
β	93.205 ± 0.002°
γ	90°
Cell volume	12990.9 ± 1.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0563
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.0862
Weighted residual factors for all reflections included in the refinement	0.0978
Goodness-of-fit parameter for all reflections included in the refinement	1.129
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
257537 (current)	2020-10-06	cif/ Updating files of 7705063, 7705064, 7705065, 7705066, 7705067, 7705068 Original log message: Adding full bibliography for 7705063--7705068.cif.	7705068.cif
255198	2020-08-08	cif/ Adding structures of 7705063, 7705064, 7705065, 7705066, 7705067, 7705068 via cif-deposit CGI script.	7705068.cif