Information card for entry 4068250

Structure parameters

• Formula: C33 H34 Ir N3 O5
• Calculated formula: C33 H34 Ir N3 O5
• SMILES: [Ir]123(OC(=O)c4[n]1ccc(c4)CO)([n]1ccccc1c1ccccc21)[n]1ccccc1c1ccccc31.OCC.OCC
• Title of publication: Supramolecular Dendriphores: Anionic Organometallic Phosphors Embedded in Polycationic Dendritic Species
• Authors of publication: McDonald, Aidan R.; Mores, Davide; de Mello Donegá, Celso; van Walree, Cornelis A.; Klein Gebbink, Robertus J. M.; Lutz, Martin; Spek, Anthony L.; Meijerink, Andries; van Klink, Gerard P. M.; van Koten, Gerard
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 4
• Pages of publication: 1082
• a: 9.3151 ± 0.0002 Å
• b: 9.48152 ± 0.00013 Å
• c: 33.3339 ± 0.0003 Å
• α: 90°
• β: 103.229 ± 0.001°
• γ: 90°
• Cell volume: 2865.97 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0315
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.0494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No