Crystallography Open Database

Information card for entry 4112121

Preview

Coordinates	4112121.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H88 As2 B12 N12 O24.8
Calculated formula	C144 H88 As2 B12 N12 O24.8
Title of publication	Organic Syntheses on an Icosahedral Borane Surface: Closomer Structures with Twelvefold Functionality
Authors of publication	Tiejun Li; Satish S. Jalisatgi; Michael J. Bayer; Andreas Maderna; Saeed I. Khan; M. Frederick Hawthorne
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	17832 - 17841
a	20.066 ± 0.004 Å
b	40.221 ± 0.007 Å
c	67.924 ± 0.013 Å
α	90°
β	90°
γ	90°
Cell volume	54820 ± 18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.2065
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.1264
Weighted residual factors for all reflections included in the refinement	0.1926
Goodness-of-fit parameter for all reflections included in the refinement	0.994
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4112121.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112121.cif
63742	2012-08-06	cif/ Adding structures of 4112121 via cif-deposit CGI script.	4112121.cif