Crystallography Open Database

Information card for entry 7019767

7019766 << 7019767 >> 7019768

Preview

Coordinates	7019767.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H32 Cl4 N4 O3 Ti2
Calculated formula	C22 H32 Cl4 N4 O3 Ti2
SMILES	[Ti]123(N(c4[n]3cccc4)[Ti](Cl)(Cl)(N2c2[n]1cccc2)([O]1CCCC1)[O]1CCCC1)(Cl)(Cl)[O]1CCCC1
Title of publication	Metal (Mg, Fe, Co, Zr and Ti) complexes derived from aminosilyl substituted aminopyridinato ligand: synthesis, structures and ethylene polymerization behaviors of the group 4 complexes.
Authors of publication	Duan, Xin-E; Yuan, Shi-Fang; Tong, Hong-Bo; Bai, Sheng-Di; Wei, Xue-Hong; Liu, Dian-Sheng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	31
Pages of publication	9460 - 9467
a	15.206 ± 0.006 Å
b	11.636 ± 0.004 Å
c	15.911 ± 0.006 Å
α	90°
β	93.202 ± 0.005°
γ	90°
Cell volume	2810.8 ± 1.8 Å³
Cell temperature	238 ± 2 K
Ambient diffraction temperature	238 ± 2 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	0.0516
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0902
Weighted residual factors for all reflections included in the refinement	0.1009
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
179901 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/97.	7019767.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019767.cif
64301	2012-08-12	cif/ Adding structures of 7019766, 7019767, 7019768, 7019769, 7019770 via cif-deposit CGI script.	7019767.cif