Crystallography Open Database

Information card for entry 4304266

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Coordinates	4304266.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H41 F5 N4 Ti
Calculated formula	C22 H41 F5 N4 Ti
SMILES	[Ti](F)(F)(F)(F)(F)=C1N(C(=C(N1C(C)C)C)C)C(C)C.n1(c[n+](c(c1C)C)C(C)C)C(C)C
Title of publication	Preparation of Ti(IV) Fluoride N-Heterocyclic Carbene Complexes
Authors of publication	Grigory B. Nikiforov; Herbert W. Roesky; Peter G. Jones; Jörg Magull; Arne Ringe; Rainer B. Oswald
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	2171 - 2179
a	9.1368 ± 0.0007 Å
b	9.5786 ± 0.0008 Å
c	16.9242 ± 0.0015 Å
α	99.143 ± 0.007°
β	90.213 ± 0.007°
γ	116.106 ± 0.006°
Cell volume	1308.6 ± 0.2 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 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	0.0988
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1058
Weighted residual factors for all reflections included in the refinement	0.1198
Goodness-of-fit parameter for all reflections included in the refinement	0.98
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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