Information card for entry 4067917

Structure parameters

• Formula: C36.5 H36 Ir N3 O3 Si
• Calculated formula: C36.5 H36 Ir N3 O3 Si
• Title of publication: Elegant Approach to the Synthesis of a Unique Heteroleptic Cyclometalated Iridium(III)-Polyoxometalate Conjugate
• Authors of publication: Matt, Benjamin; Moussa, Jamal; Chamoreau, Lise-Marie; Afonso, Carlos; Proust, Anna; Amouri, Hani; Izzet, Guillaume
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 1
• Pages of publication: 35
• a: 10.4581 ± 0.0003 Å
• b: 12.0415 ± 0.0003 Å
• c: 13.7808 ± 0.0003 Å
• α: 94.737 ± 0.001°
• β: 93.046 ± 0.001°
• γ: 104.784 ± 0.001°
• Cell volume: 1667.28 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0211
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections included in the refinement: 0.0431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No