Crystallography Open Database

Information card for entry 4073940

Preview

Coordinates	4073940.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H54 Si9
Calculated formula	C18 H54 Si9
SMILES	[Si]1([Si]([Si]([Si]([Si]([Si]1(C)C)(C)C)([Si](C)(C)C)C)(C)C)(C)C)([Si](C)(C)C)[Si](C)(C)C
Title of publication	Rearrangement of Cyclic Silanes with Aluminum Trichloride
Authors of publication	Wagner, Harald; Wallner, Andreas; Fischer, Jelena; Flock, Michaela; Baumgartner, Judith; Marschner, Christoph
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	27
Pages of publication	6704
a	10.106 ± 0.002 Å
b	22.497 ± 0.005 Å
c	30.43 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	6918 ± 2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0906
Residual factor for significantly intense reflections	0.0763
Weighted residual factors for significantly intense reflections	0.1595
Weighted residual factors for all reflections included in the refinement	0.1656
Goodness-of-fit parameter for all reflections included in the refinement	1.295
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
178628 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/39.	4073940.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073940.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073940.cif
46640	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073939, 4073940, 4073941, 4073942, 4073943, 4073944, 4073945, 4073946, 4073947, 4073948 via cif-deposit CGI script.	4073940.cif