Information card for entry 7131204

Structure parameters

• Formula: C45 H109 Ni5 P5
• Calculated formula: C45 H109 Ni5 P5
• Title of publication: Breaking bonds and breaking rules: inert-bond activation by [(ⁱPr₃P)Ni]₅H₄ and catalytic stereospecific norbornene dimerization.
• Authors of publication: Liu, Junyang; Shoshani, Manar M.; Sum, Kethya; Johnson, Samuel A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 24
• Pages of publication: 3542 - 3545
• a: 12.4459 ± 0.0013 Å
• b: 12.56 ± 0.0014 Å
• c: 20.921 ± 0.002 Å
• α: 93.155 ± 0.004°
• β: 90.716 ± 0.004°
• γ: 119.397 ± 0.004°
• Cell volume: 2842 ± 0.5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No