Crystallography Open Database

Information card for entry 1567115

Preview

Coordinates	1567115.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H48 Ag13 F18 N6 O18 S6
Calculated formula	C72 H48 Ag13 F18 N6 O18 S6
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	16.1557 ± 0.0009 Å
b	30.2077 ± 0.0017 Å
c	58.888 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	28739 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	7
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.1873
Residual factor for significantly intense reflections	0.134
Weighted residual factors for significantly intense reflections	0.3601
Weighted residual factors for all reflections included in the refinement	0.4086
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	1567115.cif
276029	2022-06-15	cif/ Adding structures of 1567108, 1567109, 1567110, 1567111, 1567112, 1567113, 1567114, 1567115 via cif-deposit CGI script.	1567115.cif