Information card for entry 4306335

Structure parameters

• Formula: C19 H36 Cl2 Ir N3
• Calculated formula: C19 H36 Cl2 Ir N3
• SMILES: [Ir]1234([NH]=C(C)C)([NH]=C(C)C)([NH]=C(C)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.[Cl-].[Cl-]
• Title of publication: Synthesis and Reactivity of Ir(I) and Ir(III) Complexes with MeNH2, Me2C=NR (R = H, Me), C,N-C6H4{C(Me)=N(Me)}-2, and N,N'-RN=C(Me)CH2C(Me2)NHR (R = H, Me) Ligands
• Authors of publication: José Vicente; María Teresa Chicote; Inmaculada Vicente-Hernández; Delia Bautista
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9592 - 9605
• a: 10.6457 ± 0.0006 Å
• b: 13.6922 ± 0.0007 Å
• c: 15.9691 ± 0.0008 Å
• α: 90°
• β: 99.821 ± 0.002°
• γ: 90°
• Cell volume: 2293.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0215
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections included in the refinement: 0.0471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No