Information card for entry 7716082

Structure parameters

• Formula: C37 H56 Cl2 Co2 N8 O11
• Calculated formula: C37 H56 Cl2 Co2 N8 O11
• SMILES: [Co]12345[OH][Co]678([OH]1)[N](CC[N]3(CC[N]4(Cc1[n]5c(ccc1)C)Cc1[n]2c(ccc1)C)C)(CC[N]7(Cc1[n]8c(ccc1)C)Cc1[n]6c(ccc1)C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].OC
• 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: 10.0649 ± 0.0002 Å
• b: 32.2086 ± 0.0005 Å
• c: 13.798 ± 0.0002 Å
• α: 90°
• β: 110.892 ± 0.001°
• γ: 90°
• Cell volume: 4178.91 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0489
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No