Crystallography Open Database

Information card for entry 4060470

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Coordinates	4060470.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H47 F3 N2 O3 S Ti
Calculated formula	C32 H47 F3 N2 O3 S Ti
SMILES	[Ti]1([N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)(C)(C)OS(=O)(=O)C(F)(F)F
Authors of publication	Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer
Journal of publication	Organometallics
Year of publication	2005
a	9.1297 ± 0.0011 Å
b	10.3411 ± 0.0012 Å
c	19.701 ± 0.002 Å
α	78.359 ± 0.003°
β	87.518 ± 0.003°
γ	64.55 ± 0.003°
Cell volume	1643 ± 0.3 Å³
Cell temperature	135 ± 2 K
Ambient diffraction temperature	135 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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