Crystallography Open Database

Information card for entry 4065685

Preview

Coordinates	4065685.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 Br12 N2 Si6
Calculated formula	C16 H14 Br12 N2 Si6
SMILES	C(#N)c1ccc(cc1)C.Br[Si]1([Si](Br)(Br)[Si](Br)(Br)[Si](Br)(Br)[Si](Br)(Br)[Si]1(Br)Br)Br.C(#N)c1ccc(cc1)C
Title of publication	“Inverse Sandwich” Complexes of Perhalogenated Cyclohexasilane
Authors of publication	Dai, Xuliang; Schulz, Douglas L.; Braun, Christopher W.; Ugrinov, Angel; Boudjouk, Philip
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	10
Pages of publication	2203
a	10.6 ± 0.006 Å
b	10.905 ± 0.005 Å
c	15.979 ± 0.006 Å
α	90°
β	101.058 ± 0.006°
γ	90°
Cell volume	1812.8 ± 1.5 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0821
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1378
Weighted residual factors for all reflections included in the refinement	0.1821
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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
178549 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/56.	4065685.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065685.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065685.cif
33654	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4065684, 4065685 via cif-deposit CGI script.	4065685.cif