Information card for entry 7060900

Structure parameters

• Formula: C15 H26 Cl N3 Ni O7
• Calculated formula: C15 H26 Cl N3 Ni O7
• Title of publication: Dimeric Mn(ii), Co(ii), Ni(ii) and Cu(ii) complexes of a common carboxylate-appended (2-pyridyl)alkylamine ligand: structure, magnetism and DFT study
• Authors of publication: Manda, Munirathnam; Arora, Himanshu; Sengupta, Arunava; Kant, Shashi; Lloret, Francesc; Mukherjee, Rabindranath
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 35
• Pages of publication: 16019 - 16029
• a: 9.8845 ± 0.0005 Å
• b: 17.5819 ± 0.0009 Å
• c: 21.6657 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3765.2 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No