Crystallography Open Database

Information card for entry 4061724

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Coordinates	4061724.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H47 Cl2 N O2 Ti
Calculated formula	C46 H47 Cl2 N O2 Ti
SMILES	[Ti]12(Cl)(Cl)OC(C[N]2(CC(O1)(c1ccc(cc1)C)c1ccc(cc1)C)Cc1ccccc1)(c1ccc(cc1)C)c1ccc(cc1)C.Cc1ccccc1
Authors of publication	Carpentier; Lehmann
Journal of publication	Organometallics
Year of publication	2005
a	11.6927 ± 0.0002 Å
b	12.8447 ± 0.0003 Å
c	13.5239 ± 0.0004 Å
α	93.499 ± 0.001°
β	103.269 ± 0.001°
γ	97.669 ± 0.002°
Cell volume	1950.37 ± 0.08 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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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