Information card for entry 4070750

Structure parameters

• Formula: C55 H48 Cl5 Ir N2 O4 P2
• Calculated formula: C55 H48 Cl5 Ir N2 O4 P2
• Title of publication: Synthesis, Structure, and Reactivity of Aliphatic Primary Nitrosamines Stabilized by Coordination to [IrCl5]2−
• Authors of publication: Di Salvo, Florencia; Estrin, Darío A.; Leitus, Gregory; Doctorovich, Fabio
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 9
• Pages of publication: 1985
• a: 14.039 ± 0.003 Å
• b: 14.109 ± 0.003 Å
• c: 16.251 ± 0.003 Å
• α: 87.69 ± 0.03°
• β: 65.47 ± 0.03°
• γ: 66 ± 0.03°
• Cell volume: 2643 ± 1.4 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: 0.0619
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No