Crystallography Open Database

Information card for entry 1571291

Preview

Coordinates	1571291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H110 N2 Na2 O12 S8 Zr2
Calculated formula	C94 H110 N2 Na2 O12 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	15.2188 ± 0.0005 Å
b	19.6877 ± 0.0007 Å
c	20.5242 ± 0.0006 Å
α	65.104 ± 0.003°
β	85.72 ± 0.003°
γ	69.053 ± 0.003°
Cell volume	5188.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0633
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.126
Weighted residual factors for all reflections included in the refinement	0.1372
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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.	1571291.cif
290629	2024-03-26	cif/ Adding structures of 1571291, 1571292, 1571293, 1571294 via cif-deposit CGI script.	1571291.cif