Information card for entry 4337396

Structure parameters

• Formula: C31 H29 Cl F6 Ir N5 O2 P
• Calculated formula: C31 H29 Cl F6 Ir N5 O2 P
• Title of publication: [Ir(N^N^N)(C^N)L](+): a new family of luminophores combining tunability and enhanced photostability.
• Authors of publication: Chirdon, Danielle N.; Transue, Wesley J.; Kagalwala, Husain N.; Kaur, Aman; Maurer, Andrew B.; Pintauer, Tomislav; Bernhard, Stefan
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1487 - 1499
• a: 8.0342 ± 0.0002 Å
• b: 15.347 ± 0.0004 Å
• c: 16.4079 ± 0.0004 Å
• α: 112.865 ± 0.001°
• β: 98.183 ± 0.001°
• γ: 101.17 ± 0.001°
• Cell volume: 1775.05 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 0.78
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No