Information card for entry 4076805

Structure parameters

• Formula: C46 H59 Ir P2
• Calculated formula: C46 H59 Ir P2
• SMILES: [Ir]1234(=Pc5c(cc(cc5C(C)(C)C)C(C)(C)C)C(C)(C)C)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C
• Title of publication: Synthesis of Novel Terminal Iridium Phosphinidene Complexes
• Authors of publication: Termaten, Arjan T.; Nijbacker, Tom; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 15
• Pages of publication: 3196
• a: 9.7474 ± 0.0001 Å
• b: 14.4034 ± 0.0002 Å
• c: 16.9057 ± 0.0002 Å
• α: 64.8313 ± 0.0005°
• β: 78.2842 ± 0.0005°
• γ: 72.4545 ± 0.0005°
• Cell volume: 2040.49 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0219
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.0484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No