Information card for entry 2225724

Structure parameters

• Chemical name: Pentaaquatri-μ~3~-hydroxido-tris(iminodiacetato)-μ~3~-oxido- <i>tetrahedro</i>-calcium(II)tricobalt(III) 2.54-hydrate
• Formula: C12 H33.08 Ca Co3 N3 O23.54
• Calculated formula: C12 H33.08 Ca Co3 N3 O23.54
• Title of publication: Pentaaquatri-μ~3~-hydroxido-tris(iminodiacetato)-μ~3~-oxido-<i>tetrahedro</i>-calcium(II)tricobalt(III) 2.54-hydrate
• Authors of publication: Ama, Tomoharu; Yonemura, Toshiaki; Morita, Shogo; Yamaguchi, Masanori
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m483 - m484
• a: 10.474 ± 0.003 Å
• b: 11.303 ± 0.007 Å
• c: 12.588 ± 0.005 Å
• α: 75.88 ± 0.04°
• β: 100.92 ± 0.03°
• γ: 104.58 ± 0.03°
• Cell volume: 1385.6 ± 1.1 ų
• Cell temperature: 296.1 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.2067
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes