Information card for entry 4337293

Structure parameters

• Formula: C28 H42 K2 N4 O12 Ti
• Calculated formula: C28 H42 K2 N4 O12 Ti
• SMILES: [Ti]12(Oc3c(O1)c(ccc3C(=O)NCC)C(=O)NCC)(Oc1c(O2)c(ccc1C(=O)NCC)C(=O)NCC)(OC)OC.[K+].[K+].OC.OC
• 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: 9.6651 ± 0.0019 Å
• b: 16.754 ± 0.003 Å
• c: 21.68 ± 0.004 Å
• α: 90°
• β: 94.55 ± 0.03°
• γ: 90°
• Cell volume: 3499.6 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1967
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No