Information card for entry 4086279

Structure parameters

• Formula: C34 H40 Co O4 P2 Pd2
• Calculated formula: C34 H40 Co O4 P2 Pd2
• SMILES: [Pd]12345[Pd]6789([Co]1([C]58=O)(C9=O)(C#[O])C#[O])[P](c1c([C]57=[CH]6[CH]3=[C]4(c3ccccc3[P]2(C(C)C)C(C)C)C=C5)cccc1)(C(C)C)C(C)C
• 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: 15.7355 ± 0.0005 Å
• b: 13.6086 ± 0.0004 Å
• c: 15.8392 ± 0.0005 Å
• α: 90°
• β: 90.1244 ± 0.0015°
• γ: 90°
• Cell volume: 3391.77 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No