Crystallography Open Database

Information card for entry 4068330

Preview

Coordinates	4068330.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H9 Cl2 N Ti
Calculated formula	C9 H9 Cl2 N Ti
SMILES	[Ti]1234(Cl)(Cl)(n5cccc5)[cH]5[cH]4[cH]3[cH]2[cH]15
Title of publication	Synthesis and Structural Analysis of (Cyclopentadienyl)(pyrrolide)titanium(IV) Complexes and Their Use in Catalysis for Olefin Polymerization
Authors of publication	Saeed, Irfan; Katao, Shohei; Nomura, Kotohiro
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	1
Pages of publication	111
a	20.6144 ± 0.0008 Å
b	9.5226 ± 0.0004 Å
c	13.8562 ± 0.0005 Å
α	90°
β	129.903 ± 0.0013°
γ	90°
Cell volume	2086.61 ± 0.15 Å³
Cell temperature	193.1 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	0.0408
Weighted residual factors for all reflections included in the refinement	0.1814
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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