Crystallography Open Database

Information card for entry 4060484

Preview

Coordinates	4060484.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H63 I N2 Ti
Calculated formula	C40 H63 I N2 Ti
SMILES	[Ti]1(I)([N](=C(C=C(N1c1c(C(C)C)cccc1C(C)C)C(C)(C)C)C(C)(C)C)c1c(C(C)C)cccc1C(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	10.6183 ± 0.0016 Å
b	17.36 ± 0.003 Å
c	21.862 ± 0.003 Å
α	90°
β	96.526 ± 0.004°
γ	90°
Cell volume	4003.7 ± 1.1 Å³
Cell temperature	115 ± 2 K
Ambient diffraction temperature	115 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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