Information card for entry 4306334

Structure parameters

• Formula: C10 H18 Cl2 Ir N
• Calculated formula: C10 H18 Cl2 Ir N
• SMILES: [Ir]1234([NH3])(Cl)(Cl)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C
• 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: 8.6828 ± 0.0006 Å
• b: 7.7401 ± 0.0005 Å
• c: 19.4092 ± 0.0013 Å
• α: 90°
• β: 101.791 ± 0.002°
• γ: 90°
• Cell volume: 1276.89 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0219
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.0465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No