Crystallography Open Database

Information card for entry 4320081

4320080 << 4320081 >> 4320082

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Structure parameters

Formula	C54 H66 N2 O4 Ti
Calculated formula	C54 H66 N2 O4 Ti
SMILES	[Ti]1234(Oc5c(cc(cc5C[N]3(Cc3cc(cc(c3O1)C)C)CCC)C)C)Oc1c(cc(cc1C[N]4(Cc1cc(cc(c1O2)C)C)CCC)C)C.c1ccccc1.c1ccccc1
Title of publication	Coordination Chemistry of Amine Bis(phenolate) Titanium Complexes: Tuning Complex Type and Structure by Ligand Modification
Authors of publication	Edit Y. Tshuva; Israel Goldberg; Moshe Kol; Zeev Goldschmidt
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	4263 - 4270
a	12.724 ± 0.0002 Å
b	13.309 ± 0.0002 Å
c	14.944 ± 0.0003 Å
α	76.006 ± 0.0007°
β	88.541 ± 0.0007°
γ	77.743 ± 0.0011°
Cell volume	2398.7 ± 0.07 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0997
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.1515
Weighted residual factors for all reflections included in the refinement	0.1732
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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