Information card for entry 7705315

Structure parameters

• Formula: C44.8 H43.2 N6 Ni P
• Calculated formula: C44.8 H43.2 N6 Ni P
• Title of publication: A dianionic C₃-symmetric scorpionate: synthesis and coordination chemistry.
• Authors of publication: Tretiakov, Serhii; Damen, Johannes A. M.; Lutz, Martin; Moret, Marc-Etienne
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 39
• Pages of publication: 13549 - 13556
• a: 24.314 ± 0.003 Å
• b: 17.888 ± 0.002 Å
• c: 19.297 ± 0.002 Å
• α: 90°
• β: 113.027 ± 0.003°
• γ: 90°
• Cell volume: 7724.1 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1954
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.1806
• Weighted residual factors for all reflections included in the refinement: 0.232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No