Crystallography Open Database

Information card for entry 1567109

Preview

Coordinates	1567109.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 F6 N2 O6 S2
Calculated formula	C14 H14 F6 N2 O6 S2
SMILES	c1(cc(C)[nH+]cc1)c1cc(C)[nH+]cc1.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-]
Title of publication	Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction.
Authors of publication	Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang
Journal of publication	Chemical science
Year of publication	2022
Journal volume	13
Journal issue	27
Pages of publication	8095 - 8103
a	6.8729 ± 0.0007 Å
b	8.3071 ± 0.0009 Å
c	8.8774 ± 0.0008 Å
α	77.25 ± 0.009°
β	88.991 ± 0.008°
γ	75.454 ± 0.009°
Cell volume	478.12 ± 0.09 Å³
Cell temperature	172.97 ± 0.1 K
Ambient diffraction temperature	172.97 ± 0.1 K
Number of distinct elements	6
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	0.0565
Weighted residual factors for significantly intense reflections	0.1496
Weighted residual factors for all reflections included in the refinement	0.1583
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
277099 (current)	2022-08-06	cif/ Updating files of 1567108, 1567109, 1567110, 1567111, 1567112, 1567113, 1567114, 1567115 Original log message: Adding full bibliography for 1567108--1567115.cif.	1567109.cif
276029	2022-06-15	cif/ Adding structures of 1567108, 1567109, 1567110, 1567111, 1567112, 1567113, 1567114, 1567115 via cif-deposit CGI script.	1567109.cif