Information card for entry 7709855

Structure parameters

• Formula: C37 H30 Cl2 Co F6 Ni O2 P3
• Calculated formula: C37 H30 Cl2 Co F6 Ni O2 P3
• SMILES: C([Ni]1(C#[O])[P]([c]23[cH]4[cH]5[cH]6[cH]2[Co]27893456[c]3([cH]2[cH]7[cH]8[cH]93)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)#[O].[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl
• 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: 15.8614 ± 0.0011 Å
• b: 12.6538 ± 0.0009 Å
• c: 40.759 ± 0.003 Å
• α: 90°
• β: 93.232 ± 0.004°
• γ: 90°
• Cell volume: 8167.6 ± 1 ų
• Cell temperature: 140 K
• Ambient diffraction temperature: 140.01 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No