Crystallography Open Database

Information card for entry 7106393

Preview

Coordinates	7106393.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H127 Ag11 N10 O3 S18
Calculated formula	C63 H127 Ag11 N10 O3 S18
Title of publication	An eleven-vertex deltahedron with hexacapped trigonal bipyramidal geometry
Authors of publication	Chen-Wei Liu; Ping-Kuei Liao; Ching-Shiang Fang; Jean-Yves Saillard; Samia Kahlal; Ju-Chun Wang
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	5831
a	20.9216 ± 0.0018 Å
b	20.9216 ± 0.0018 Å
c	21.233 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	8048.8 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.0348
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0762
Weighted residual factors for all reflections included in the refinement	0.0787
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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