Information card for entry 7061792

Structure parameters

• Formula: C15 H27 Cl2 N2 Ni P
• Calculated formula: C15 H27 Cl2 N2 Ni P
• SMILES: [Ni]1(Cl)(Cl)[P](NCCc2[n]1cccc2)(C(C)(C)C)C(C)(C)C
• Title of publication: High-spin, tetrahedral cobalt(ii) and nickel(ii) complexes supported by monoprotic aminophosphine ligands, and attempted extension to copper(ii) complexes: synthesis, characterization, and unexpected reactivity
• Authors of publication: Kelly, Jordan C.; Bloomfield, Aaron J.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 39
• Pages of publication: 18647 - 18651
• a: 8.8054 ± 0.0003 Å
• b: 15.0567 ± 0.0006 Å
• c: 14.6029 ± 0.0005 Å
• α: 90°
• β: 99.846 ± 0.002°
• γ: 90°
• Cell volume: 1907.54 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0364
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No