Information card for entry 7019517

Structure parameters

• Formula: C63 H58 Ge Ir O3 P3
• Calculated formula: C63 H58 Ge Ir O3 P3
• SMILES: [Ir]123(C#[O])[Ge](c4ccccc4[P]1(c1ccccc1)c1ccccc1)(c1ccccc1[P]2(c1ccccc1)c1ccccc1)c1ccccc1[P]3(c1ccccc1)c1ccccc1.O1CCCC1.O1CCCC1
• Title of publication: Synthesis of iridium complexes bearing {o-(Ph(2)P)C(6)H(4)}(3)E type (E = Si, Ge, and Sn) ligand and evaluation of electron donating ability of group 14 elements E.
• 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: 27
• Pages of publication: 8290 - 8296
• a: 18.7464 ± 0.0013 Å
• b: 16.42 ± 0.001 Å
• c: 17.019 ± 0.0011 Å
• α: 90°
• β: 94.933 ± 0.0019°
• γ: 90°
• Cell volume: 5219.3 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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 all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No