Information card for entry 7705243

Structure parameters

• Formula: C38 H34 F12 N10 Ni O4 P2
• Calculated formula: C38 H34 F12 N10 Ni O4 P2
• SMILES: [Ni]1234(OC(=N\c5[n+](cccc5)C)/c5[n]2c(/C(O1)=N/c1[n+](C)cccc1)ccc5)[n]1c(C(=O)N3c2[n+](cccc2)C)cccc1C(=O)N4c1[n+](C)cccc1.[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: 11.976 ± 0.0002 Å
• b: 21.8343 ± 0.0003 Å
• c: 16.1933 ± 0.0002 Å
• α: 90°
• β: 92.267 ± 0.001°
• γ: 90°
• Cell volume: 4231.03 ± 0.11 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1133
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No