Crystallography Open Database

Information card for entry 4062503

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Coordinates	4062503.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H61 N4 Ti3 Tl
Calculated formula	C42 H61 N4 Ti3 Tl
SMILES	[c]12([c]3([c]4([c]5([c]1(C)[Ti]16782345N2[Ti]3459%107([c]7([c]3([c]4([c]5([c]97C)C)C)C)C)(N6)N[Ti]345682%10([c]2([c]3([c]4([c]5([c]62C)C)C)C)C)N1)C)C)C)C.[cH]12[cH]3cc[cH]1[Tl]23.c1(ccccc1)C
Journal of publication	Organometallics
Year of publication	2004
a	11.225 ± 0.004 Å
b	11.82 ± 0.003 Å
c	17.235 ± 0.005 Å
α	96.03 ± 0.01°
β	92.12 ± 0.02°
γ	105.45 ± 0.01°
Cell volume	2186.9 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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

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