Information card for entry 7705245

Structure parameters

• Formula: C38 H38 Co F18 N10 O6 P3
• Calculated formula: C38 H38 Co F18 N10 O6 P3
• SMILES: [Co]1234(N(c5c[n+](ccc5)C)C(=O)c5cccc(C(=O)N2c2ccc[n+](C)c2)[n]45)N(c2c[n+](ccc2)C)C(=O)c2cccc(C(=O)N1c1c[n+](C)ccc1)[n]32.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O.O
• Title of publication: Ambidentate bonding and electrochemical implications of pincer-type pyridylidene amide ligands in complexes of nickel, cobalt and zinc.
• Authors of publication: Melle, Philipp; Ségaud, Nathalie; Albrecht, Martin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 36
• Pages of publication: 12662 - 12673
• a: 13.05781 ± 0.00013 Å
• b: 14.7905 ± 0.0002 Å
• c: 24.4665 ± 0.0003 Å
• α: 90°
• β: 99.3165 ± 0.001°
• γ: 90°
• Cell volume: 4662.92 ± 0.1 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0816
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No