Information card for entry 4301258

Structure parameters

• Formula: C52 H48 B F4 Ir N2 P2
• Calculated formula: C52 H48 B F4 Ir N2 P2
• Title of publication: Para-Hydrogen Induced Polarization without Incorporation of Para-Hydrogen into the Analyte
• Authors of publication: Kevin D. Atkinson; Michael J. Cowley; Simon B. Duckett; Paul I. P. Elliott; Gary G. R. Green; Joaquín López-Serrano; Iman G. Khazal; Adrian C. Whitwood
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 663 - 670
• a: 20.1286 ± 0.001 Å
• b: 12.278 ± 0.0006 Å
• c: 18.2227 ± 0.0009 Å
• α: 90°
• β: 90.304 ± 0.001°
• γ: 90°
• Cell volume: 4503.5 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No