Crystallography Open Database

Information card for entry 4102215

Preview

Coordinates	4102215.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H21 B11 Cl6 Si
Calculated formula	C7 H21 B11 Cl6 Si
Title of publication	Hydrodefluorination and Other Hydrodehalogenation of Aliphatic Carbon-Halogen Bonds Using Silylium Catalysis
Authors of publication	Christos Douvris; C. M. Nagaraja; Chun-Hsing Chen; Bruce M. Foxman; Oleg V. Ozerov
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	4946 - 4953
a	7.5885 ± 0.0004 Å
b	15.7841 ± 0.001 Å
c	18.8905 ± 0.0011 Å
α	109.622 ± 0.004°
β	96.022 ± 0.004°
γ	92.315 ± 0.004°
Cell volume	2112.6 ± 0.2 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0766
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for all reflections	0.0882
Weighted residual factors for significantly intense reflections	0.0772
Weighted residual factors for all reflections included in the refinement	0.0882
Goodness-of-fit parameter for all reflections included in the refinement	0.94
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4102215.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102215.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102215.cif
25072	2011-09-09	../uploads/cif-deposit/cod/cif Adding structures of 4102215 via cif-deposit CGI script.	4102215.cif