Information card for entry 4328212

Structure parameters

• Formula: C40 H39 Cl4 Ir N2 O2 Ru
• Calculated formula: C40 H39 Cl4 Ir N2 O2 Ru
• SMILES: [Ir]123(O[c]45[cH]6[Ru]789%10%11%12%134([c]5([cH]7[cH]8[cH]69)O1)[c]1([c]%10([c]%11([c]%12([c]%131C)C)C)C)C)([n]1ccccc1c1ccccc21)[n]1ccccc1c1ccccc31.ClCCl.ClCCl
• Title of publication: Turning on Red and Near-Infrared Phosphorescence in Octahedral Complexes with Metalated Quinones
• Authors of publication: Aurélie Damas; Barbara Ventura; Jamal Moussa; Alessandra Degli Esposti; Lise-Marie Chamoreau; Andrea Barbieri; Hani Amouri
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1739 - 1750
• a: 12.5121 ± 0.0003 Å
• b: 14.5305 ± 0.0004 Å
• c: 21.4119 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3892.83 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No