Information card for entry 4339824

Structure parameters

• Common name: 04136
• Formula: C44 H32 Cl2 Ir2 N4
• Calculated formula: C44 H32 Cl2 Ir2 N4
• Title of publication: Selective low-temperature syntheses of facial and meridional tris-cyclometalated iridium(III) complexes.
• Authors of publication: McGee, Kari A.; Mann, Kent R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 19
• Pages of publication: 7800 - 7809
• a: 9.2872 ± 0.0006 Å
• b: 11.981 ± 0.0008 Å
• c: 16.742 ± 0.0011 Å
• α: 90°
• β: 99.674 ± 0.001°
• γ: 90°
• Cell volume: 1836.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0325
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No