Crystallography Open Database

Information card for entry 4105236

Preview

Coordinates	4105236.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H46 Si6 Ti
Calculated formula	C22 H46 Si6 Ti
SMILES	[Ti]123456789([Si]([Si](C)(C)C)([Si]1([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)([cH]1[cH]2[cH]3[cH]4[cH]51)[cH]1[cH]6[cH]7[cH]8[cH]91
Title of publication	Group 4 Metallocene Complexes of Disilenes, Digermenes, and a Silagermene
Authors of publication	Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	15952 - 15962
a	9.878 ± 0.002 Å
b	10.085 ± 0.002 Å
c	16.779 ± 0.003 Å
α	90.47 ± 0.03°
β	90.22 ± 0.03°
γ	117.42 ± 0.03°
Cell volume	1483.6 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.17
Residual factor for significantly intense reflections	0.0984
Weighted residual factors for significantly intense reflections	0.2191
Weighted residual factors for all reflections included in the refinement	0.2586
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
178798 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/52.	4105236.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4105236.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4105236.cif
30430	2011-11-12	../uploads/cif-deposit/cod/cif Adding structures of 4105236 via cif-deposit CGI script.	4105236.cif