Crystallography Open Database

Information card for entry 7051830

Preview

Coordinates	7051830.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H24 Cl2 N2 O2 Ti
Calculated formula	C16 H24 Cl2 N2 O2 Ti
Title of publication	Titanoxycarbene complexes of Ti(iv) with O- and N-donor ligands
Authors of publication	Nogai, Stefan D.; Schuster, Oliver; Bruce, Jocelyn; Raubenheimer, Helgard G.
Journal of publication	New Journal of Chemistry
Year of publication	2008
Journal volume	32
Journal issue	3
Pages of publication	540
a	8.7977 ± 0.0005 Å
b	13.4237 ± 0.0007 Å
c	16.4837 ± 0.0009 Å
α	90°
β	97.906 ± 0.001°
γ	90°
Cell volume	1928.18 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0428
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0953
Weighted residual factors for all reflections included in the refinement	0.0991
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180072 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/18.	7051830.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7051830.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7051830.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7051830.cif