Crystallography Open Database

Information card for entry 4064076

Preview

Coordinates	4064076.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H52 Si9
Calculated formula	C18 H52 Si9
SMILES	[Si]1([Si]2([Si](C)(C)C[Si]([Si]([Si](C)(C)C1)([Si]2(C)C)[Si](C)(C)C)(C)C)[Si](C)(C)C)(C)C
Title of publication	Rearrangement/Fragmentation Reactions of Oligosilanes with Aluminum Chloride.
Authors of publication	Wagner, Harald; Baumgartner, Judith; Marschner, Christoph; Poelt, Peter
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	15
Pages of publication	3939 - 3954
a	9.3855 ± 0.0019 Å
b	11.547 ± 0.002 Å
c	16.262 ± 0.003 Å
α	71.75 ± 0.03°
β	80.8 ± 0.03°
γ	73.88 ± 0.03°
Cell volume	1602.8 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0605
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1306
Weighted residual factors for all reflections included in the refinement	0.1358
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
178502 (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 4/06/40.	4064076.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064076.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064076.cif
32776	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4064074, 4064075, 4064076, 4064077, 4064078, 4064079, 4064080, 4064081 via cif-deposit CGI script.	4064076.cif