Information card for entry 4086278

Structure parameters

• Formula: C36 H44 Fe O6 P2 Pd2
• Calculated formula: C36 H44 Fe O6 P2 Pd2
• SMILES: [Pd]12345[Pd]678([Fe]1(C#[O])(C8=O)(C5=O)C#[O])[P](c1ccccc1[C]16=[CH]7C(OC)=[C]3(c3ccccc3[P]2(C(C)C)C(C)C)[CH]4=C1OC)(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: 14.0587 ± 0.0005 Å
• b: 14.2422 ± 0.0005 Å
• c: 18.4208 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3688.3 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No