Information card for entry 4115833

Structure parameters

• Formula: C34 H58 F3 Ir2 N2 O5.5 P2 S
• Calculated formula: C34 H53 F3 Ir2 N2 O5.5 P2 S
• SMILES: [Ir]12([Ir]3([P](C(C)C)(C(C)C)C(C)C)([NH]1c1cccc4cccc([NH]23)c14)(C#[O])C)([P](C(C)C)(C(C)C)C(C)C)C#[O].S(=O)(=O)([O-])C(F)(F)F.O(CC)CC
• Title of publication: Transmission of Trans Effects in Dinuclear Complexes
• Authors of publication: Eduardo Sola; Francisco Torres; M. Victoria Jiménez; Jose A. López; Silvia E. Ruiz; Fernando J. Lahoz; Anabel Elduque; Luis A. Oro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 11925 - 11932
• a: 11.7846 ± 0.0011 Å
• b: 18.3407 ± 0.0018 Å
• c: 20.285 ± 0.002 Å
• α: 100.799 ± 0.002°
• β: 102.636 ± 0.002°
• γ: 102.471 ± 0.002°
• Cell volume: 4048.6 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1385
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 0.746
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No