Information card for entry 2020726

Structure parameters

• Common name: Cobalt complex, 1
• Chemical name: Tetrakis(acetonitrile-κ<i>N</i>)bis(tetrahydrofuran-κ<i>O</i>)cobalt(II) bis[(acetonitrile-κ<i>N</i>)trichloridocobaltate(II)]
• Formula: C20 H34 Cl6 Co3 N6 O2
• Calculated formula: C20 H34 Cl6 Co3 N6 O2
• 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: 7.7669 ± 0.0006 Å
• b: 9.1516 ± 0.0006 Å
• c: 12.4114 ± 0.0009 Å
• α: 99.665 ± 0.003°
• β: 104.29 ± 0.003°
• γ: 93.968 ± 0.003°
• Cell volume: 837.1 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes