Information card for entry 2020728

Structure parameters

• Common name: Cobalt complex 3
• Chemical name: Di-μ-chlorido-1:2κ^4^<i>Cl</i>:<i>Cl</i>-dichlorido-2κ^2^<i>Cl</i>-tetrakis(tetrahydrofuran-1κ<i>O</i>)dicobalt(II)
• Formula: C16 H32 Cl4 Co2 O4
• Calculated formula: C16 H32 Cl4 Co2 O4
• SMILES: C1CCC[O]1[Co]1([O]2CCCC2)([O]2CCCC2)([O]2CCCC2)[Cl][Co](Cl)(Cl)[Cl]1
• 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: 14.733 ± 0.003 Å
• b: 9.6318 ± 0.0017 Å
• c: 15.993 ± 0.004 Å
• α: 90°
• β: 93.737 ± 0.008°
• γ: 90°
• Cell volume: 2264.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1222
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes