Information card for entry 7038471

Structure parameters

• Formula: C38 H30 Cl5 Ge Ir O P2
• Calculated formula: C38 H30 Cl5 Ge Ir O P2
• SMILES: [Ir]12([Ge](Cl)(c3ccccc3[P]1(c1ccccc1)c1ccccc1)c1ccccc1[P]2(c1ccccc1)c1ccccc1)(Cl)(Cl)C#[O].C(Cl)Cl
• Title of publication: Experimental and theoretical studies of Si-Cl and Ge-Cl σ-bond activation reactions by iridium-hydride.
• Authors of publication: Kameo, H.; Ikeda, K.; Sakaki, S.; Takemoto, S.; Nakazawa, H.; Matsuzaka, H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 18
• Pages of publication: 7570 - 7580
• a: 18.3353 ± 0.0009 Å
• b: 22.648 ± 0.0009 Å
• c: 18.5245 ± 0.0009 Å
• α: 90°
• β: 100.286 ± 0.002°
• γ: 90°
• Cell volume: 7568.8 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.249
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No