Information card for entry 4088956

Structure parameters

• Formula: C22 H34 Cl4 Ir2
• Calculated formula: C22 H34 Cl4 Ir2
• SMILES: [c]12([c]3([c]4([c]5([c]1(CC)[Ir]12345([Cl][Ir]2345([c]6([c]2([c]3([c]4([c]56CC)C)C)C)C)([Cl]1)Cl)Cl)C)C)C)C
• Title of publication: Rapid Access to Derivatized, Dimeric, Ring-Substituted Dichloro(cyclopentadienyl)rhodium(III) and Iridium(III) Complexes
• Authors of publication: Brown, Loren C.; Ressegue, Emily; Merola, Joseph S.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 24
• Pages of publication: 4014
• a: 7.6921 ± 0.0002 Å
• b: 14.9787 ± 0.0004 Å
• c: 11.3445 ± 0.0003 Å
• α: 90°
• β: 109.567 ± 0.003°
• γ: 90°
• Cell volume: 1231.6 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections included in the refinement: 0.0479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No