Information card for entry 4074493

Structure parameters

• Formula: C24 H43 Ir N2 P2
• Calculated formula: C24 H43 Ir N2 P2
• SMILES: [Ir]12([N]#N)[P](Cc3c2c(ccc3)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Dinitrogen Complexes of Pincer-Ligated Iridium
• Authors of publication: Ghosh, Rajshekhar; Kanzelberger, Mira; Emge, Thomas J.; Hall, Gene S.; Goldman, Alan S.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 23
• Pages of publication: 5668
• a: 11.2546 ± 0.0008 Å
• b: 15.851 ± 0.0011 Å
• c: 29.533 ± 0.002 Å
• α: 89.034 ± 0.001°
• β: 81.718 ± 0.001°
• γ: 88.825 ± 0.001°
• Cell volume: 5212 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections included in the refinement: 0.0431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No