Information card for entry 7010311

Structure parameters

• Formula: C8 H20 Br2 Co N4 O4
• Calculated formula: C8 H20 Br2 Co N4 O4
• SMILES: [N](O)(=CC)[Co](Br)([N](O)=CC)([N](O)=CC)([N](O)=CC)Br
• Title of publication: Cobalt(II) aldoxime complexes stabilised by halide hydrogen bonding: crystal structures of [Co{HONC(H)(Me)}4X2] (X = Cl or Br) and [Co{HONC(H)(Pr)}4Cl2]
• Authors of publication: Hierso, Jean-Cyrille; Bouwman, Elisabeth; Ellis, Dianne D.; Pérez Cabero, Mónica; Reedijk, Jan; Spek, Anthony L.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 2
• Pages of publication: 197
• a: 7.5824 ± 0.0002 Å
• b: 12.1368 ± 0.0004 Å
• c: 9.2141 ± 0.0003 Å
• α: 90°
• β: 94.7954 ± 0.0017°
• γ: 90°
• Cell volume: 844.97 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.034
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No