Information card for entry 4304757

Structure parameters

• Formula: C38 H36 F6 Ir N4 O3 P
• Calculated formula: C38 H36 F6 Ir N4 O3 P
• Title of publication: Luminescent Cyclometalated RhIII, IrIII, and (DIP)2RuII Complexes with Carboxylated Bipyridyl Ligands: Synthesis, X-ray Molecular Structure, and Photophysical Properties
• Authors of publication: Jenny B. Waern; Christophe Desmarets; Lise-Marie Chamoreau; Hani Amouri; Andrea Barbieri; Cristiana Sabatini; Barbara Ventura; Francesco Barigelletti
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 3340 - 3348
• a: 16.139 ± 0.002 Å
• b: 13.6478 ± 0.0014 Å
• c: 17.6583 ± 0.0014 Å
• α: 90°
• β: 101.651 ± 0.008°
• γ: 90°
• Cell volume: 3809.3 ± 0.7 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 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: 0.1017
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No