Crystallography Open Database

Information card for entry 7125878

Preview

Coordinates	7125878.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	chiral Ag18S
Chemical name	Ag18(μ8-S)(p-TBBT)16(PPh3)8
Formula	C349.68 H478.7 Ag18 O29.68 P8 S17
Calculated formula	C320 H360 Ag18 P8 S17
Title of publication	Ag<sub>18</sub>(μ<sub>8</sub>-S)(p-TBBT)<sub>16</sub>(PPh<sub>3</sub>)<sub>8</sub>: symmetry breaking induced by the core to generate chirality.
Authors of publication	Tian, Fan; Chen, Rong
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	18
Pages of publication	2719 - 2722
a	26.6947 ± 0.0001 Å
b	26.6947 ± 0.0001 Å
c	50.0946 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	35697.8 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	130
Hermann-Mauguin space group symbol	P 4/n c c :2
Hall space group symbol	-P 4a 2ac
Residual factor for all reflections	0.0623
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1533
Weighted residual factors for all reflections included in the refinement	0.1599
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
248848 (current)	2020-03-05	cif/ Updating files of 7125878 Original log message: Adding full bibliography for 7125878.cif.	7125878.cif
247359	2020-01-30	cif/ Adding structures of 7125878 via cif-deposit CGI script.	7125878.cif