Crystallography Open Database

Information card for entry 7011404

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Coordinates	7011404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H88 Cl9 N O6 Ti2
Calculated formula	C67 H88 Cl9 N O6 Ti2
SMILES	[Ti]1234([Cl][Ti]56(Cl)([O]3c3c(Cc7c(O1)c(cc(c7)C)C)cc(cc3Cc1c(O6)c(cc(c1)C)C)C(C)(C)C)[O]2c1c(Cc2c(O4)c(cc(c2)C)C)cc(cc1Cc1c(O5)c(cc(c1)C)C)C(C)(C)C)Cl.ClCCl.ClCCl.ClCCl.[N+](CC)(CC)(CC)CC
Title of publication	Synthesis and structures of Ti(iii) and Ti(iv) complexes supported by a tridentate aryloxide ligand
Authors of publication	Matsuo, Tsukasa; Kawaguchi, Hiroyuki; Sakai, Masahiro
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	12
Pages of publication	2536
a	13.448 ± 0.004 Å
b	15.768 ± 0.005 Å
c	19.078 ± 0.005 Å
α	65.464 ± 0.007°
β	76.2 ± 0.01°
γ	88.95 ± 0.01°
Cell volume	3559 ± 1.8 Å³
Cell 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
Residual factor for significantly intense reflections	0.083
Weighted residual factors for all reflections included in the refinement	0.253
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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