Crystallography Open Database

Information card for entry 4060467

Preview

Coordinates	4060467.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H55 B N2 Ti
Calculated formula	C34 H55 B N2 Ti
SMILES	[Ti]1(=CC(C)(C)C)[N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C.[BH4-]
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	10.522 ± 0.002 Å
b	19.451 ± 0.004 Å
c	17.009 ± 0.003 Å
α	90°
β	102.739 ± 0.006°
γ	90°
Cell volume	3395.4 ± 1.2 Å³
Cell temperature	132 ± 2 K
Ambient diffraction temperature	132 ± 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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