Information card for entry 7020224

Structure parameters

• Formula: C56 H46 Ge Ir O P3
• Calculated formula: C56 H46 Ge Ir O P3
• SMILES: [Ir]12([Ge](C)(c3ccccc3[P]1(c1ccccc1)c1ccccc1)c1ccccc1[P]2(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O]
• Title of publication: Facile synthesis of rhodium and iridium complexes bearing a [PEP]-type ligand (E = Ge or Sn) via E-C bond cleavage.
• Authors of publication: Kameo, Hajime; Ishii, Sho; Nakazawa, Hiroshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 37
• Pages of publication: 11386 - 11392
• a: 11.6489 ± 0.0005 Å
• b: 20.591 ± 0.001 Å
• c: 19.4199 ± 0.0011 Å
• α: 90°
• β: 98.772 ± 0.003°
• γ: 90°
• Cell volume: 4603.6 ± 0.4 ų
• Cell temperature: 200.1 K
• Ambient diffraction temperature: 200.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No