Information card for entry 7709852

Structure parameters

• Formula: C72 H56 Cl6 Co2 Fe2 Ni2 O5 P4
• Calculated formula: C72 H56 Cl6 Co2 Fe2 Ni2 O5 P4
• SMILES: C([Ni]1(C#[O])[P]([c]23[cH]4[cH]5[cH]6[cH]2[Co]27893456[c]3([cH]9[cH]8[cH]7[cH]23)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)#[O].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].Cl[Fe](Cl)(Cl)O[Fe](Cl)(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: 10.1357 ± 0.0005 Å
• b: 17.5973 ± 0.0008 Å
• c: 21.6427 ± 0.0011 Å
• α: 68.911 ± 0.003°
• β: 80.097 ± 0.004°
• γ: 74.415 ± 0.003°
• Cell volume: 3457 ± 0.3 ų
• Cell temperature: 135 K
• Ambient diffraction temperature: 135 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1008
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No