Information card for entry 7705242

Structure parameters

• Formula: C44 H43 F12 N13 Ni O4 P2
• Calculated formula: C44 H43 F12 N13 Ni O4 P2
• SMILES: c1c(ccc[n+]1C)N1C(=O)c2cccc3C(=O)N(c4ccc[n+](C)c4)[Ni]451([n]23)N(c1c[n+](C)ccc1)C(=O)c1cccc(C(=O)N5c2ccc[n+](C)c2)[n]41.CC#N.CC#N.CC#N.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 12.5126 ± 0.0003 Å
• b: 13.9713 ± 0.0004 Å
• c: 15.2848 ± 0.0004 Å
• α: 67.053 ± 0.002°
• β: 82.782 ± 0.002°
• γ: 82.793 ± 0.002°
• Cell volume: 2432.53 ± 0.12 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No