Information card for entry 7127342

Structure parameters

• Formula: C34.5 H38 Cl Ir N2 O5.5
• Calculated formula: C34.5 H38 Cl Ir N2 O5.5
• Title of publication: Organoiridium-quinone conjugates for facile hydrogen peroxide generation.
• Authors of publication: Nguyen, Huong T. H.; Do, Loi H.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 87
• Pages of publication: 13381 - 13384
• a: 7.7989 ± 0.0015 Å
• b: 9.4618 ± 0.0018 Å
• c: 24.171 ± 0.005 Å
• α: 95.058 ± 0.002°
• β: 94.646 ± 0.003°
• γ: 112.464 ± 0.002°
• Cell volume: 1629.1 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.322
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No