Crystallography Open Database

Information card for entry 7001233

Preview

Coordinates	7001233.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H34 Cl F5 O5 Si2 Ti2
Calculated formula	C32 H34 Cl F5 O5 Si2 Ti2
SMILES	[Ti]123456(Cl)O[Si]7(O[Si](O[Ti]89%10%11(Oc%12c(O1)cccc%12)(c1c(c(c(c(c1F)F)F)F)F)[c]17[c]8([c]9([c]%10([c]%111C)C)C)C)([c]12[c]3([c]4([c]5([c]61C)C)C)C)C)C
Title of publication	Dinuclear dialkoxo-bridged cyclopentadienylsiloxo titanium complexes
Authors of publication	Postigo, Lorena; Sánchez-Nieves, Javier; Royo, Pascual; Mosquera, Marta E. G.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	19
Pages of publication	3756 - 3765
a	11.597 ± 0.004 Å
b	17.888 ± 0.003 Å
c	16.826 ± 0.005 Å
α	90°
β	95.61 ± 0.02°
γ	90°
Cell volume	3473.8 ± 1.7 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
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	0.1132
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1427
Weighted residual factors for all reflections included in the refinement	0.1613
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation probe	x-ray
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
179709 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/12.	7001233.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001233.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001233.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001233.cif