Crystallography Open Database

Information card for entry 7006196

Preview

Coordinates	7006196.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H34 N4 Si Ti
Calculated formula	C20 H34 N4 Si Ti
SMILES	[Ti]12345(N(c6ncccc6)[Si]([c]62[c]3([c]4([c]5([c]61C)C)C)C)(C)C)(N(C)C)N(C)C
Title of publication	Synthesis, characterization and reactivity of new complexes of titanium and zirconium containing a potential tridentate amidinato-cyclopentadienyl ligand.
Authors of publication	Bertolasi, Valerio; Boaretto, Rita; Chierotti, Michele R.; Gobetto, Roberto; Sostero, Silvana
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	44
Pages of publication	5179 - 5189
a	10.0461 ± 0.0002 Å
b	17.0028 ± 0.0003 Å
c	12.8224 ± 0.0003 Å
α	90°
β	96.286 ± 0.001°
γ	90°
Cell volume	2177.05 ± 0.08 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.065
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.0919
Weighted residual factors for all reflections included in the refinement	0.0992
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
179765 (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 7/00/61.	7006196.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006196.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006196.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7006196.cif