Crystallography Open Database

Information card for entry 4112142

Preview

Coordinates	4112142.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C149 H102 Si5
Calculated formula	C149.25 H86 Si5
Title of publication	Stacking of Molecules Possessing a Fullerene Apex and a Cup-Shaped Cavity Connected by a Silicon Connection
Authors of publication	Yutaka Matsuo; Ayako Muramatsu; Ryo Hamasaki; Norihiro Mizoshita; Takashi Kato; Eiichi Nakamura
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	432 - 433
a	31.997 Å
b	31.997 Å
c	20.178 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	20658.4 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	3
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0835
Residual factor for significantly intense reflections	0.0796
Weighted residual factors for significantly intense reflections	0.2115
Weighted residual factors for all reflections included in the refinement	0.2145
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
178892 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/21.	4112142.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112142.cif
64504	2012-08-17	cif/ Adding structures of 4112142 via cif-deposit CGI script.	4112142.cif