Information card for entry 2243918

Structure parameters

• Chemical name: (Δ/Λ)-Tris(ethylenediamine)cobalt(III) trichloride hemi(hexaaquasodium chloride)
• Formula: C12 H60 Cl7 Co2 N12 Na O6
• Calculated formula: C12 H60 Cl7 Co2 N12 Na O6
• SMILES: C1C[NH2][Co]23([NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.[Cl-].[Cl-].[Na]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].C1C[NH2][Co]23([NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]
• Title of publication: Synthesis and structure determination of racemic (Δ/Λ)-tris(ethylenediamine)cobalt(III) trichloride hemi(hexaaquasodium chloride)
• Authors of publication: Conrad-Marut, Linden H.; Reinheimer, Eric W.; Johnson, Adam R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 10
• a: 11.429 ± 0.0002 Å
• b: 11.429 ± 0.0002 Å
• c: 15.5815 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1762.61 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes