Information card for entry 2241508

Structure parameters

• Chemical name: Trihydrogen bis{[1,1,1-tris(2-oxidoethylaminomethyl)ethane]cobalt(III)} trinitrate
• Formula: C22 H51 Co2 N9 O15
• Calculated formula: C22 H51 Co2 N9 O15
• Title of publication: Crystal structure of trihydrogen bis{[1,1,1-tris(2-oxidoethylaminomethyl)ethane]cobalt(III)} trinitrate
• Authors of publication: Sethi, Waqas; Johannesen, Heini V.; Morsing, Thorbjørn J.; Piligkos, Stergios; Weihe, Høgni
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: m275 - m276
• a: 8.543 ± 0.004 Å
• b: 8.543 ± 0.004 Å
• c: 39.11 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2472 ± 2 ų
• Cell temperature: 122 ± 2 K
• Ambient diffraction temperature: 122 ± 2 K
• Number of distinct elements: 5
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2
• Hall space group symbol: R 3 2"
• Residual factor for all reflections: 0.0225
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.0475
• Goodness-of-fit parameter for all reflections included in the refinement: 0.807
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes