Crystallography Open Database

Information card for entry 7006199

Preview

Coordinates	7006199.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H32 N4 S Si Ti
Calculated formula	C18 H32 N4 S Si Ti
SMILES	[Ti]12345(N(c6sccn6)[Si]([c]26[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	9.8186 ± 0.0002 Å
b	17.3817 ± 0.0004 Å
c	12.8635 ± 0.0003 Å
α	90°
β	100.87 ± 0.001°
γ	90°
Cell volume	2155.95 ± 0.08 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
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	0.0813
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.0924
Weighted residual factors for all reflections included in the refinement	0.1028
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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.	7006199.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006199.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006199.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7006199.cif