Information card for entry 7709853

Structure parameters

• Formula: C39 H33 B0.42 Co F11.16 Ni P3.58
• Calculated formula: C39 H33 B0.418 Co F11.164 Ni P3.582
• Title of publication: Metal-Metal Communication Between 1,1’ Bis(diphenylphosphino)cobaltocenium and an Organonickel Moiety
• Authors of publication: Auweiler, Daniel; Schnierle, Marc; Rapp, Valentin; Ringenberg, Mark R.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 19.107 ± 0.002 Å
• b: 10.7707 ± 0.0012 Å
• c: 18.508 ± 0.002 Å
• α: 90°
• β: 96.858 ± 0.005°
• γ: 90°
• Cell volume: 3781.6 ± 0.7 ų
• Cell temperature: 139.99 K
• Ambient diffraction temperature: 139.99 K
• Number of distinct elements: 7
• 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: 0.1822
• Residual factor for significantly intense reflections: 0.1324
• Weighted residual factors for significantly intense reflections: 0.3256
• Weighted residual factors for all reflections included in the refinement: 0.3628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No