Crystallography Open Database

Information card for entry 4082247

Preview

Coordinates	4082247.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H25 Cl2 N Ti
Calculated formula	C20 H25 Cl2 N Ti
SMILES	[Ti]12345(N(c6c([c]71[c]2([c]3([cH]4[c]57C)C)C)cccc6)C1CCCCC1)(Cl)Cl
Title of publication	o-Phenylene-Bridged Cp/Amido Titanium Complexes for Ethylene/1-Hexene Copolymerizations
Authors of publication	Cho, Dae Joon; Wu, Chun Ji; S, Sujith; Han, Won-Sik; Kang, Sang Ook; Lee, Bun Yeoul
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	9
Pages of publication	2133 - 2134
a	8.773 ± 0.0018 Å
b	13.301 ± 0.003 Å
c	17.47 ± 0.004 Å
α	82.526 ± 0.004°
β	82.582 ± 0.004°
γ	87.424 ± 0.004°
Cell volume	2003.5 ± 0.8 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0433
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.0954
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	4075284
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
209857 (current)	2018-08-17	cif/4/ Updating bibliography in entries 4075284-4075285, 4082247. Marking entry 4082247 as a duplicate of entry 4075284.	4082247.cif
178711	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/22.	4082247.cif
169182	2015-10-18	cif/4: Fixing Z values and formulae	4082247.cif
99247	2014-01-30	cif/ Adding structures of 4082247 via cif-deposit CGI script.	4082247.cif