Information card for entry 4311172

Structure parameters

• Formula: C21 H27 Fe2 O9 P Pt
• Calculated formula: C21 H27 Fe2 O9 P Pt
• SMILES: [Pt]12([Fe]([Fe]1(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C2=O)([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C#[O]
• Title of publication: Dinuclear Ruthenium and Iron Complexes Containing Palladium and Platinum with Tri-tert-Butylphosphine Ligands: Synthesis, Structures, and Bonding
• Authors of publication: Richard D. Adams; Burjor Captain; Wei Fu; Michael B. Hall; Mark D. Smith; Charles Edwin Webster
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3921 - 3929
• a: 16.2566 ± 0.0008 Å
• b: 8.3777 ± 0.0004 Å
• c: 20.4807 ± 0.001 Å
• α: 90°
• β: 110.701 ± 0.001°
• γ: 90°
• Cell volume: 2609.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0218
• Residual factor for significantly intense reflections: 0.0184
• Weighted residual factors for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.0452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No