Information card for entry 7716086

Structure parameters

• Formula: C47 H78 Br2 Cl2 Co2 N8 O15
• Calculated formula: C44 H66 Br2 Cl2 Co2 N8 O12
• 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: 34.7597 ± 0.0014 Å
• b: 14.4732 ± 0.0006 Å
• c: 24.5591 ± 0.0008 Å
• α: 90°
• β: 106.47 ± 0.001°
• γ: 90°
• Cell volume: 11848.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0561
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No