Information card for entry 4337295

Structure parameters

• Formula: C30 H34 N6 O18 Ti2
• Calculated formula: C30 H24 N6 O18 Ti2
• SMILES: [Ti]123([O]=n4c(O1)cccc4)([O]=n1c(O2)cccc1)([O]=n1c(O3)cccc1)O[Ti]123(Oc4n(=[O]1)cccc4)([O]=n1c(O2)cccc1)[O]=n1c(O3)cccc1.O.O.O.O.O
• Title of publication: Correction to Titanium(IV) Complexes with N,N'-Dialkyl-2,3-dihydroxyterephthalamides and 1-Hydroxy-2(1H)-pyridinone as Siderophore and Tunichrome Analogues.
• Authors of publication: Uppal, Ritika; Israel, Hayley P.; Incarvito, Christopher D.; Valentine, Ann M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 2342
• a: 10.954 ± 0.002 Å
• b: 12.906 ± 0.003 Å
• c: 13.14 ± 0.003 Å
• α: 81.88 ± 0.03°
• β: 86.79 ± 0.03°
• γ: 75.7 ± 0.03°
• Cell volume: 1781.6 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1999
• Residual factor for significantly intense reflections: 0.0916
• Weighted residual factors for significantly intense reflections: 0.185
• Weighted residual factors for all reflections included in the refinement: 0.2267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No