Information card for entry 2204017

Structure parameters

• Chemical name: Bis(ethylenediammonium) tetra-μ-oxo-tetrakis[(nitrilotriacetato)titanate] monohydrate
• Formula: C28 H46 N8 O29 Ti4
• Calculated formula: C28 H46 N8 O29 Ti4
• Title of publication: Bis(ethylenediammonium) tetra-μ-oxo-tetrakis[(nitrilotriacetato)titanate(IV)] monohydrate
• Authors of publication: Sun, Qiaozhen; Sun, Qiaohong; Zhang, Hanhui; Surname, Forename; Huang, Changcang; Cao, Yanning; Sun, Ruiqing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m1084 - m1086
• a: 10.8082 ± 0.001 Å
• b: 10.9099 ± 0.0011 Å
• c: 19.6832 ± 0.0015 Å
• α: 91.483 ± 0.005°
• β: 90.796 ± 0.003°
• γ: 104.374 ± 0.005°
• Cell volume: 2247.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0838
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes