Information card for entry 4075226

Structure parameters

• Formula: C36 H34 As Cl5 Ir N2 O
• Calculated formula: C36 H34 As Cl5 Ir N2 O
• Title of publication: Formation of CoordinatedC-Nitroso Compounds by Reaction of K[IrCl5NO] with Alkenes
• Authors of publication: Escola, Natalia; Llebaría, Analuz; Leitus, Gregory; Doctorovich, Fabio
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 16
• Pages of publication: 3799
• a: 9.536 ± 0.0019 Å
• b: 13.146 ± 0.003 Å
• c: 28.721 ± 0.006 Å
• α: 93.68 ± 0.03°
• β: 92.09 ± 0.03°
• γ: 92.55 ± 0.03°
• Cell volume: 3586.7 ± 1.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.043
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No