Crystallography Open Database

Information card for entry 4114615

Preview

Coordinates	4114615.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H23 B11 Br6
Calculated formula	C12 H23 B11 Br6
Title of publication	Optimizing the Least Nucleophilic Anion. A New, Strong Methyl+ Reagent
Authors of publication	Daniel Stasko; Christopher A. Reed
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	1148 - 1149
a	14.138 ± 0.0006 Å
b	17.2261 ± 0.0008 Å
c	10.4985 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2556.8 ± 0.2 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0704
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1214
Weighted residual factors for all reflections included in the refinement	0.1258
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178917 (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 4/11/46.	4114615.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114615.cif
67947	2012-10-09	cif/ Adding structures of 4114615 via cif-deposit CGI script.	4114615.cif