Information card for entry 4340368

Structure parameters

• Common name: complex 3
• Formula: C29 H24 B Cl2 F4 Ir N10
• Calculated formula: C29 H24 B Cl2 F4 Ir N10
• Title of publication: Iridium(III) Complexes with Phenyl-tetrazoles as Cyclometalating Ligands.
• Authors of publication: Monti, Filippo; Baschieri, Andrea; Gualandi, Isacco; Serrano-Pérez, Juan J; Junquera-Hernández, José M; Tonelli, Domenica; Mazzanti, Andrea; Muzzioli, Sara; Stagni, Stefano; Roldan-Carmona, Cristina; Pertegás, Antonio; Bolink, Henk J.; Ortí, Enrique; Sambri, Letizia; Armaroli, Nicola
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 7709 - 7721
• a: 12.3364 ± 0.0006 Å
• b: 18.478 ± 0.0009 Å
• c: 14.2837 ± 0.0007 Å
• α: 90°
• β: 100.418 ± 0.001°
• γ: 90°
• Cell volume: 3202.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0235
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No