Information card for entry 4313914

Structure parameters

• Formula: C44 H38 Cl2 Ir2 N4 O8 P2
• Calculated formula: C44 H38 Cl2 Ir2 N4 O8 P2
• SMILES: [IrH]1(Cl)([P](Oc2ccccc2)(Oc2ccccc2)Oc2ccccc2)(n2[n]([IrH](Cl)([P](Oc3ccccc3)(Oc3ccccc3)Oc3ccccc3)([n]3n1ccc3)C#[O])ccc2)C#[O]
• Title of publication: Protonation Reactions of Dinuclear Pyrazolato Iridium(I) Complexes
• Authors of publication: Cristina Tejel; Miguel A. Ciriano; Marta Millaruelo; José A. López; Fernando J. Lahoz; Luis A. Oro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 4750 - 4758
• a: 9.5095 ± 0.0006 Å
• b: 13.8588 ± 0.0009 Å
• c: 17.6696 ± 0.0012 Å
• α: 70.912 ± 0.001°
• β: 88.776 ± 0.001°
• γ: 84.334 ± 0.001°
• Cell volume: 2189.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No