Information card for entry 2237837

Structure parameters

• Common name: Ir(TpMe2)(C4H8)(PMe3) M-37
• Chemical name: (Butane-1,4-diyl)(trimethylphosphane-κ<i>P</i>)[tris(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)hydroborato]iridium(III)
• Formula: C22 H39 B Ir N6 P
• Calculated formula: C22 H39 B Ir N6 P
• Title of publication: (Butane-1,4-diyl)(trimethylphosphane-κ<i>P</i>)[tris(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)hydroborato]iridium(III)
• Authors of publication: Gómez, Margarita; Santos, Laura L.; Paneque, Margarita; Mereiter, Kurt
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: m234 - m235
• a: 11.1865 ± 0.0005 Å
• b: 18.1771 ± 0.0008 Å
• c: 13.4748 ± 0.0006 Å
• α: 90°
• β: 112.883 ± 0.001°
• γ: 90°
• Cell volume: 2524.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0185
• Residual factor for significantly intense reflections: 0.0165
• Weighted residual factors for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections included in the refinement: 0.0404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes