Crystallography Open Database

Information card for entry 4075285

Preview

Coordinates	4075285.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 Cl3 N Ti
Calculated formula	C20 H24 Cl3 N Ti
SMILES	[Ti]12345(Cl)(Cl)N(c6c(cc(Cl)cc6)[c]61[c]2([cH]3[c]4([c]56C)C)C)C1CCCCC1
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	8.3533 ± 0.001 Å
b	11.2763 ± 0.0013 Å
c	11.9066 ± 0.0014 Å
α	99.884 ± 0.002°
β	98.641 ± 0.002°
γ	106.94 ± 0.002°
Cell volume	1032.8 ± 0.2 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	0.0848
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.204
Weighted residual factors for all reflections included in the refinement	0.2205
Goodness-of-fit parameter for all reflections included in the refinement	1.134
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
209857 (current)	2018-08-17	cif/4/ Updating bibliography in entries 4075284-4075285, 4082247. Marking entry 4082247 as a duplicate of entry 4075284.	4075285.cif
178641	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/52.	4075285.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075285.cif
49158	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075285 via cif-deposit CGI script.	4075285.cif