Crystallography Open Database

Information card for entry 1569794

Preview

Coordinates	1569794.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C441 H508 Ag16 N26 Na2 O109 S32 Ti16
Calculated formula	C440.5 H508 Ag16 N26 Na2 O109 S32 Ti16
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	22.273 ± 0.0015 Å
b	44.47 ± 0.003 Å
c	38.489 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	38123 ± 5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	8
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Residual factor for all reflections	0.0969
Residual factor for significantly intense reflections	0.0891
Weighted residual factors for significantly intense reflections	0.2203
Weighted residual factors for all reflections included in the refinement	0.2265
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
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.	1569794.cif
286206	2023-09-06	cif/ Adding structures of 1569790, 1569791, 1569792, 1569793, 1569794 via cif-deposit CGI script.	1569794.cif