Crystallography Open Database

Information card for entry 1547534

Preview

Coordinates	1547534.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	C6_FLuoAuAg
Formula	C162 H198 Ag3 Au3
Calculated formula	C162 H198 Ag3 Au3
SMILES	[Au]1[C]2#[C](c3cc4c(cc3)c3ccccc3C4(CCCCCC)CCCCCC)[Ag]32[C](#[C]3c2cc3c(cc2)c2ccccc2C3(CCCCCC)CCCCCC)[Au][C]2#[C](c3cc4c(cc3)c3ccccc3C4(CCCCCC)CCCCCC)[Ag]32[C](#[C]3c2cc3c(cc2)c2ccccc2C3(CCCCCC)CCCCCC)[Au][C]2#[C](c3ccc4c(c3)C(CCCCCC)(c3c4cccc3)CCCCCC)[Ag]32[C]1#[C]3c1cc2c(cc1)c1ccccc1C2(CCCCCC)CCCCCC
Title of publication	Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system
Authors of publication	Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming
Journal of publication	Chem. Sci.
Year of publication	2017
a	80.362 ± 0.003 Å
b	18.8467 ± 0.0008 Å
c	51.284 ± 0.002 Å
α	90°
β	128.299 ± 0.0014°
γ	90°
Cell volume	60956 ± 4 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1568
Residual factor for significantly intense reflections	0.1051
Weighted residual factors for significantly intense reflections	0.2022
Weighted residual factors for all reflections included in the refinement	0.232
Goodness-of-fit parameter for all reflections included in the refinement	1.144
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
217633 (current)	2019-08-21	cif/1: Fixing Z values and formulae	1547534.cif
201668	2017-10-04	cif/ Adding structures of 1547531, 1547532, 1547533, 1547534, 1547535, 1547536, 1547537 via cif-deposit CGI script.	1547534.cif