Crystallography Open Database

Information card for entry 4060471

Preview

Coordinates	4060471.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H55 B N2 Ti
Calculated formula	C34 H55 B N2 Ti
SMILES	[Ti]1234([N](=C(C=C(C1C(C)(C)C)C)C)c5c(cccc5C(C)C)C(C)C)(=Nc5c(cccc5C(C)C)C(C)C)[BH]([H]2)([H]3)[H]4
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	9.002 ± 0.0003 Å
b	11.0365 ± 0.0004 Å
c	17.3981 ± 0.0006 Å
α	76.626 ± 0.001°
β	89.154 ± 0.001°
γ	78.389 ± 0.001°
Cell volume	1646.31 ± 0.1 Å³
Cell temperature	129 ± 2 K
Ambient diffraction temperature	129 ± 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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