Information card for entry 7716081

Structure parameters

• Formula: C44 H62 Cl4 Co2 N12 O16
• Calculated formula: C44 H62 Cl4 Co2 N12 O16
• Title of publication: Increasing the electron donation in a dinucleating ligand family: molecular and electronic structures in a series of Co^IICo^II complexes.
• Authors of publication: Depenbrock, Felix; Limpke, Thomas; Stammler, Anja; Oldengott, Jan; Bögge, Hartmut; Glaser, Thorsten
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 22
• Pages of publication: 9554 - 9567
• a: 11.494 ± 0.0006 Å
• b: 11.7996 ± 0.0007 Å
• c: 12.1256 ± 0.0007 Å
• α: 70.583 ± 0.002°
• β: 64.862 ± 0.002°
• γ: 67.714 ± 0.002°
• Cell volume: 1348.44 ± 0.13 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: 0.0282
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No