Crystallography Open Database

Information card for entry 1557465

Preview

Coordinates	1557465.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H20
Calculated formula	C32 H20
SMILES	C(=C=C(C#Cc1ccccc1)c1ccccc1)=C(C#Cc1ccccc1)c1ccccc1
Title of publication	Unravelling the formation mechanism of alkynyl protected gold clusters: a case study of phenylacetylene stabilized Au<sub>144</sub> molecules.
Authors of publication	Ma, Xiaoshuang; Tang, Zhenghua; Qin, Lubing; Peng, Jin; Li, Ligui; Chen, Shaowei
Journal of publication	Nanoscale
Year of publication	2020
Journal volume	12
Journal issue	5
Pages of publication	2980 - 2986
a	6.1391 ± 0.0001 Å
b	15.1547 ± 0.0002 Å
c	11.9272 ± 0.0002 Å
α	90°
β	94.63 ± 0.001°
γ	90°
Cell volume	1106.04 ± 0.03 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	2
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0594
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1413
Weighted residual factors for all reflections included in the refinement	0.1479
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
248778 (current)	2020-03-04	cif/ Adding structures of 1557465 via cif-deposit CGI script.	1557465.cif