Information card for entry 2217768

Structure parameters

• Chemical name: Dichlorido(9-methyladenine-κ<i>N</i>^7^)(η^5^- pentamethylcyclopentadienyl)iridium(III) dichloromethane solvate
• Formula: C17 H24 Cl4 Ir N5
• Calculated formula: C17 H24 Cl4 Ir N5
• SMILES: c1nc(c2c(n1)[n](c[n]2[Ir]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(Cl)Cl)C)N.C(Cl)Cl
• Title of publication: Dichlorido(9-methyladenine-κ<i>N</i>^7^)(η^5^-pentamethylcyclopentadienyl)iridium(III) dichloromethane solvate
• Authors of publication: Bruhn, Clemens; Küger, Thomas; Steinborn, Dirk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: m455 - m456
• a: 7.294 ± 0.002 Å
• b: 11.8698 ± 0.0014 Å
• c: 13.649 ± 0.003 Å
• α: 71.338 ± 0.015°
• β: 83.83 ± 0.03°
• γ: 78.003 ± 0.014°
• Cell volume: 1094.1 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Cell measurement pressure: 100 ± 1 kPa
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes