Crystallography Open Database

Information card for entry 4061176

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Coordinates	4061176.cif

Structure parameters

Formula	C36 H42 Cl4 N2 O3 Ti
Calculated formula	C36 H42 Cl4 N2 O3 Ti
SMILES	[Ti]123(Oc4c(cc(cc4C[N]2(CC[N]3(C)C)Cc2cc(cc(c2O1)Cl)Cl)Cl)Cl)(Cc1ccccc1)Cc1ccccc1.CCOCC
Journal of publication	Organometallics
Year of publication	2004
a	10.364 ± 0.0002 Å
b	17.559 ± 0.0006 Å
c	20.332 ± 0.0006 Å
α	90°
β	93.738 ± 0.0018°
γ	90°
Cell volume	3692.18 ± 0.18 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
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

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