Information card for entry 7242151

Structure parameters

• Formula: C44 H26 Cl2 N6 Ni
• Calculated formula: C44 H26 Cl2 N6 Ni
• Title of publication: Pseudo-octahedral nickel(ii) complexes of strongly absorbing benzannulated pincer-type amido ligands: ligand-based redox and non-Aufbau electronic behaviour
• Authors of publication: Braun, Jason D.; Lozada, Issiah B.; Shepit, Michael; van Lierop, Johan; Herbert, David E.
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 3547 - 3555
• a: 20.2979 ± 0.0009 Å
• b: 20.2979 ± 0.0009 Å
• c: 39.0458 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16087.1 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No