Information card for entry 2239399

Structure parameters

• Chemical name: <i>mer</i>-Hydridotris(trimethylphosphane-κ<i>P</i>)(<i>D</i>-valinato-κ^2^<i>N</i>,<i>O</i>)iridium hexafluoridophosphate dichloromethane 0.675-solvate
• Formula: C14.68 H39.35 Cl1.35 F6 Ir N O2 P4
• Calculated formula: C14.675 H39.35 Cl1.35 F6 Ir N O2 P4
• Title of publication: <i>mer</i>-Hydridotris(trimethylphosphane-κ<i>P</i>)(<small>D</small>-valinato-κ^2^<i>N</i>,<i>O</i>)iridium hexafluoridophosphate dichloromethane 0.675-solvate
• Authors of publication: Merola, Joseph S.; Slebodnick, Carla; Berg, Michael; Ritchie, Melissa K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: m82
• a: 14.04454 ± 0.00017 Å
• b: 14.04454 ± 0.00017 Å
• c: 14.2657 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2813.9 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 8
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0446
• Weighted residual factors for all reflections included in the refinement: 0.0461
• Goodness-of-fit parameter for all reflections included in the refinement: 0.805
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes