Crystallography Open Database

Information card for entry 1567113

Preview

Coordinates	1567113.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H53 Ag5 F9 N17 O9 S3
Calculated formula	C57 H53 Ag5 F9 N17 O9 S3
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	25.7535 ± 0.0005 Å
b	24.5293 ± 0.0006 Å
c	24.9163 ± 0.0004 Å
α	90°
β	91.174 ± 0.002°
γ	90°
Cell volume	15736.7 ± 0.6 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0918
Residual factor for significantly intense reflections	0.0728
Weighted residual factors for significantly intense reflections	0.1979
Weighted residual factors for all reflections included in the refinement	0.2182
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
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.	1567113.cif
276029	2022-06-15	cif/ Adding structures of 1567108, 1567109, 1567110, 1567111, 1567112, 1567113, 1567114, 1567115 via cif-deposit CGI script.	1567113.cif