Crystallography Open Database

Information card for entry 1571292

Preview

Coordinates	1571292.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H122 Ag2 N4 O14 S8 Zr2
Calculated formula	C100 H122 Ag2 N4 O14 S8 Zr2
Title of publication	Ag<sup>1+</sup> incorporation <i>via</i> a Zr<sup>4+</sup>-anchored metalloligand: fine-tuning catalytic Ag sites in Zr/Ag bimetallic clusters for enhanced eCO<sub>2</sub>RR-to-CO activity.
Authors of publication	Li, Liang-Jun; Mu, Wen-Lei; Tian, Yi-Qi; Yu, Wei-Dong; Li, Lan-Yan; Yan, Jun; Liu, Chao
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	20
Pages of publication	7643 - 7650
a	26.4396 ± 0.0002 Å
b	12.2954 ± 0.00011 Å
c	32.4346 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	10544 ± 0.16 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0418
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0915
Weighted residual factors for all reflections included in the refinement	0.0957
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
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
292907 (current)	2024-07-05	cif/ Updating files of 1571291, 1571292, 1571293, 1571294 Original log message: Adding full bibliography for 1571291--1571294.cif.	1571292.cif
290629	2024-03-26	cif/ Adding structures of 1571291, 1571292, 1571293, 1571294 via cif-deposit CGI script.	1571292.cif