Information card for entry 2020727

Structure parameters

• Common name: Cobalt complex 2
• Chemical name: <i>catena</i>-Poly[[tetrakis(propan-2-ol-κ<i>O</i>)cobalt(II)]-μ-chlorido-[dichloridocobalt(II)]-μ-chlorido]
• Formula: C12 H32 Cl4 Co2 O4
• Calculated formula: C12 H32 Cl4 Co2 O4
• SMILES: [Co]([Cl][Co](Cl)(Cl)[Cl][Co]([OH]C(C)C)([OH]C(C)C)(Cl)([OH]C(C)C)[OH]C(C)C)([OH]C(C)C)([OH]C(C)C)([Cl][Co](Cl)Cl)([OH]C(C)C)[OH]C(C)C
• Title of publication: Cobalt(II) chloride adducts with acetonitrile, propan-2-ol and tetrahydrofuran: considerations on nuclearity, reactivity and synthetic applications
• Authors of publication: Stinghen, Danilo; Rüdiger, André Luis; Giese, Siddhartha O. K.; Nunes, Giovana G.; Soares, Jaísa F.; Hughes, David L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 2
• Pages of publication: 104 - 114
• a: 16.5619 ± 0.0009 Å
• b: 9.4778 ± 0.0005 Å
• c: 15.6842 ± 0.0009 Å
• α: 90°
• β: 116.411 ± 0.002°
• γ: 90°
• Cell volume: 2205 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes