Information card for entry 4319198

Structure parameters

• Common name: 0001
• Formula: C24 H72 Cl7 Ir N12 O7 P4
• Calculated formula: C24 H64 Cl7 Ir N12 O7 P4
• Title of publication: Synthesis and Characterization of Iridium 1,3,5-Triaza-7-phosphaadamantane (PTA) Complexes. X-ray Crystal and Molecular Structures of [Ir(PTA)4(CO)]Cl and [Ir(PTAH)3(PTAH2)(H)2]Cl6
• Authors of publication: Don A. Krogstad; Jason A. Halfen; Tracy J. Terry; Victor G. Young
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 463 - 471
• a: 12.4432 ± 0.0009 Å
• b: 12.5921 ± 0.0009 Å
• c: 16.3231 ± 0.0012 Å
• α: 76.004 ± 0.001°
• β: 71.605 ± 0.001°
• γ: 69.177 ± 0.001°
• Cell volume: 2244 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No