Information card for entry 7716088

Structure parameters

• Formula: C28 H46 Br2 Cl2 Co2 N12 O8
• Calculated formula: C28 H46 Br2 Cl2 Co2 N12 O8
• Title of publication: Increasing the Electron Donation in a Dinucleating Ligand Family: Molecular and Electronic Structures in a Series of CoIICoII Complexes
• Authors of publication: Depenbrock, Felix; Limpke, Thomas; Stammler, Anja; Oldengott, Jan; Bögge, Hartmut; Glaser, Thorsten
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 12.4043 ± 0.0006 Å
• b: 13.0584 ± 0.0007 Å
• c: 24.6003 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3984.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0231
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No