Crystallography Open Database

Information card for entry 1552428

Preview

Coordinates	1552428.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al3 Ca Pd2
Calculated formula	Al3 Ca Pd2
Title of publication	Trapping an unprecedented Ti3C3 unit into the icosahedral C80 fullerene: A crystallographic survey
Authors of publication	Yu, Pengyuan; Shen, Wangqiang; Bao, Lipiao; Pan, Changwang; Slanina, Zdenek; Lu, Xing
Journal of publication	Chemical Science
Year of publication	2019
a	9.3628 ± 0.0006 Å
b	9.3628 ± 0.0003 Å
c	4.2396 Å
α	90°
β	90°
γ	120°
Cell volume	321.86 ± 0.02 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
Space group number	191
Hermann-Mauguin space group symbol	P 6/m m m
Hall space group symbol	-P 6 2
Residual factor for all reflections	0.0098
Residual factor for significantly intense reflections	0.0069
Weighted residual factors for significantly intense reflections	0.0186
Weighted residual factors for all reflections included in the refinement	0.02
Goodness-of-fit parameter for significantly intense reflections	0.83
Goodness-of-fit parameter for all reflections included in the refinement	0.84
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
219340 (current)	2019-10-15	cif/ Adding structures of 1552428, 1552429, 1552430, 1552431, 1552432, 1552433, 1552434, 1552435, 1552436, 1552437, 1552438, 1552439 via cif-deposit CGI script.	1552428.cif