Crystallography Open Database

Information card for entry 4110914

Preview

Coordinates	4110914.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2b anion
Formula	C72 H164 Li O6 Sb2 Si14
Calculated formula	C72 H164 Li O6 Sb2 Si14
Title of publication	One-Electron Reduction of Kinetically Stabilized Dipnictenes: Synthesis of Dipnictene Anion Radicals
Authors of publication	Takahiro Sasamori; Eiko Mieda; Noriyoshi Nagahora; Kazunobu Sato; Daisuke Shiomi; Takeji Takui; Yoshinobu Hosoi; Yukio Furukawa; Nozomi Takagi; Shigeru Nagase; Norihiro Tokitoh
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	12582 - 12588
a	14.8773 ± 0.0002 Å
b	25.2561 ± 0.0003 Å
c	14.911 ± 0.0002 Å
α	90°
β	116.56 ± 0.0005°
γ	90°
Cell volume	5011.42 ± 0.11 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1018
Weighted residual factors for all reflections included in the refinement	0.1096
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178880 (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 4/11/09.	4110914.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110914.cif
59921	2012-06-14	cif/ Adding structures of 4110914 via cif-deposit CGI script.	4110914.cif