Information card for entry 4300649

Structure parameters

• Formula: C6 H16 O20 Ti2
• Calculated formula: C6 H16 O20 Ti2
• SMILES: C1(=O)O[Ti]2([O]=C3C(=[O][Ti]4(OC(=O)C(=O)O4)(O3)([OH2])([OH2])[OH2])O2)([OH2])([OH2])(OC1=O)[OH2].O.O
• Title of publication: Aqueous Spectroscopy and Redox Properties of Carboxylate-Bound Titanium
• Authors of publication: Uppal, R; Incarvito, C. D.; Lakshmi, K. V.; Valentine, A. M.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• a: 9.5088 ± 0.0019 Å
• b: 6.2382 ± 0.0012 Å
• c: 13.494 ± 0.003 Å
• α: 90°
• β: 94.64 ± 0.03°
• γ: 90°
• Cell volume: 797.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No