Crystallography Open Database

Information card for entry 4060466

Preview

Coordinates	4060466.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H63 F N2 Ti
Calculated formula	C39 H63 F N2 Ti
SMILES	[Ti]1(F)([N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)(CC(C)(C)C)CC(C)(C)C
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	10.8475 ± 0.0006 Å
b	12.9225 ± 0.0007 Å
c	13.5292 ± 0.0007 Å
α	92.797 ± 0.002°
β	96.196 ± 0.001°
γ	98.673 ± 0.001°
Cell volume	1859.75 ± 0.17 Å³
Cell temperature	117 ± 2 K
Ambient diffraction temperature	117 ± 2 K
Number of distinct elements	5
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

Version history

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