Information card for entry 4304316

Structure parameters

• Formula: C23 H33 Cl2 Ir N3 O P
• Calculated formula: C23 H32 Cl2 Ir N3 O P
• Title of publication: Diastereomerically Enriched Analogues of the Water-Soluble Phosphine PTA. Synthesis of Phenyl(1,3,5-triaza-7-phosphatricyclo[3.3.1.13,7]dec-6-yl)methanol (PZA) and the Sulfide PZA(S) and X-ray Crystal Structures of the Oxide PZA(O) and [Cp*IrCl2(PZA)]
• Authors of publication: Mikael Erlandsson; Luca Gonsalvi; Andrea Ienco; Maurizio Peruzzini
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8 - 10
• a: 8.8789 ± 0.00017 Å
• b: 13.626 ± 0.002 Å
• c: 20.375 ± 0.0004 Å
• α: 90°
• β: 90.4071 ± 0.0018°
• γ: 90°
• Cell volume: 2465 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.06
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No