Crystallography Open Database

Information card for entry 4065684

Preview

Coordinates	4065684.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Br12 Si6
Calculated formula	Br12 Si6
SMILES	Br[Si]1(Br)[Si](Br)(Br)[Si](Br)(Br)[Si](Br)(Br)[Si](Br)(Br)[Si]1(Br)Br
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	18.324 ± 0.002 Å
b	10.0813 ± 0.0012 Å
c	14.2797 ± 0.0017 Å
α	90°
β	110.015 ± 0.002°
γ	90°
Cell volume	2478.6 ± 0.5 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	2
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0876
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1375
Weighted residual factors for all reflections included in the refinement	0.1562
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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.	4065684.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065684.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065684.cif
33654	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4065684, 4065685 via cif-deposit CGI script.	4065684.cif