Information card for entry 4088957

Structure parameters

• Formula: C26 H42 Cl4 Ir2
• Calculated formula: C26 H42 Cl4 Ir2
• SMILES: [c]12([c]3([c]4([c]5([c]1(CCCC)[Ir]12345(Cl)[Cl][Ir]2345([c]6([c]2([c]3([c]4([c]56CCCC)C)C)C)C)(Cl)[Cl]1)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: 8.7695 ± 0.0003 Å
• b: 8.8947 ± 0.0004 Å
• c: 9.5445 ± 0.0003 Å
• α: 109.693 ± 0.004°
• β: 100.752 ± 0.003°
• γ: 92.206 ± 0.003°
• Cell volume: 684.49 ± 0.05 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No