Crystallography Open Database

Information card for entry 1569793

Preview

Coordinates	1569793.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C89 H109 Ag2 N3 O12 S8 Ti2
Calculated formula	C89 H109 Ag2 N3 O12 S8 Ti2
Title of publication	Stepwise assembly of thiacalix[4]arene-protected Ag/Ti bimetallic nanoclusters: accurate identification of catalytic Ag sites in CO<sub>2</sub> electroreduction.
Authors of publication	Tian, Yi-Qi; Mu, Wen-Lei; Wu, Lin-Lin; Yi, Xiao-Yi; Yan, Jun; Liu, Chao
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	37
Pages of publication	10212 - 10218
a	22.9703 ± 0.0013 Å
b	15.9803 ± 0.001 Å
c	36.153 ± 0.003 Å
α	90°
β	95.01 ± 0.007°
γ	90°
Cell volume	13220.1 ± 1.6 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
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	0.1518
Residual factor for significantly intense reflections	0.0804
Weighted residual factors for significantly intense reflections	0.195
Weighted residual factors for all reflections included in the refinement	0.2211
Goodness-of-fit parameter for all reflections included in the refinement	0.86
Diffraction radiation probe	x-ray
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
286704 (current)	2023-10-06	cif/ Updating files of 1569790, 1569791, 1569792, 1569793, 1569794 Original log message: Adding full bibliography for 1569790--1569794.cif.	1569793.cif
286206	2023-09-06	cif/ Adding structures of 1569790, 1569791, 1569792, 1569793, 1569794 via cif-deposit CGI script.	1569793.cif