Information card for entry 4067916

Structure parameters

• Formula: C11 H13 N O2 Si
• Calculated formula: C11 H13 N O2 Si
• SMILES: [Si](C#Cc1ccc(nc1)C(=O)O)(C)(C)C
• 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: 11.9729 ± 0.0004 Å
• b: 9.3725 ± 0.0002 Å
• c: 12.0227 ± 0.0004 Å
• α: 90°
• β: 115.386 ± 0.001°
• γ: 90°
• Cell volume: 1218.87 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0547
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No