Information card for entry 2202355

Structure parameters

• Chemical name: Hexa-aqua-cobalt(II) (μ~2~-triethylenetetra-aminehexa-acetato)- diaqua-dicobalt(II) tetrahydrate
• Formula: C18 H48 Co3 N4 O24
• Calculated formula: C18 H48 Co3 N4 O24
• SMILES: C1C(=O)O[Co]234([N]1(CC(=O)O3)CC[N]2(CC[N]12CC(=O)O[Co]352([N](CC(=O)O3)(CC(=O)O5)CC1)[OH2])CC(=O)O4)[OH2].[OH2][Co]([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O
• Title of publication: Hexaaquacobalt(II) (μ~2~-triethylenetetraminehexaacetato)diaquadicobalt(II) tetrahydrate
• Authors of publication: Li-Jun Song; Jie Zhang; Zi-Rong Tang; Wen-Guo Wang; Zhan-Feng Ju
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: m867 - m869
• a: 7.3671 ± 0.0002 Å
• b: 8.6295 ± 0.0004 Å
• c: 15.0272 ± 0.0007 Å
• α: 73.543 ± 0.002°
• β: 83.409 ± 0.003°
• γ: 70.465 ± 0.002°
• Cell volume: 863.26 ± 0.06 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: 0.0671
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes