Information card for entry 4086277

Structure parameters

• Formula: C40 H47.5 B Co F4 N1.5 O4 P2 Pd2
• Calculated formula: C40 H47.5 B Co F4 N1.5 O4 P2 Pd2
• SMILES: [Pd]1234567[Pd]89%10([Co]1([C]6%10=O)(C7=O)(C#[O])C#[O])[P](c1c([c]68c[cH]5[c]4([cH]3[cH]96)c3c([P]2(C(C)C)C(C)C)cccc3)cccc1)(C(C)C)C(C)C.[B](F)(F)(F)[F-].c1ccccc1.N#CC.N#CC
• Title of publication: Heterometallic Effects in Trinuclear Complexes Supported byp-Terphenyl Diphosphine Ligands
• Authors of publication: Horak, Kyle T.; Lin, Sibo; Rittle, Jonathan; Agapie, Theodor
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 18
• Pages of publication: 4429
• a: 15.9326 ± 0.0008 Å
• b: 16.5136 ± 0.0009 Å
• c: 18.4384 ± 0.001 Å
• α: 90.49 ± 0.003°
• β: 114.618 ± 0.002°
• γ: 105.162 ± 0.002°
• Cell volume: 4218.4 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No