Crystallography Open Database

Information card for entry 1501788

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Coordinates	1501788.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H28 Cl2 N2 Ti
Calculated formula	C18 H28 Cl2 N2 Ti
SMILES	[Ti]12345(Cl)(Cl)([n]6n1c(cc6C(C)C)C(C)C)[c]1([cH]2[cH]3[cH]4[cH]51)C(C)(C)C
Title of publication	Olefin Polymerization by Half-Titanocenes Containing η2-Pyrazolato Ligands−MAO Catalyst Systems
Authors of publication	Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Saeed, Irfan
Journal of publication	Macromolecules
Year of publication	2011
Journal volume	44
Journal issue	7
Pages of publication	1986
a	30.917 ± 0.0008 Å
b	10.5621 ± 0.0003 Å
c	12.0811 ± 0.0003 Å
α	90°
β	92.5986 ± 0.0009°
γ	90°
Cell volume	3941.01 ± 0.18 Å³
Cell temperature	123.1 K
Ambient diffraction temperature	123.1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for all reflections included in the refinement	0.0748
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1501788.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1501788.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501788.cif
35140	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1501784, 1501785, 1501786, 1501787, 1501788 via cif-deposit CGI script.	1501788.cif