Information card for entry 7117283

Structure parameters

• Formula: C48 H51 B F4 Ir N5
• Calculated formula: C48 H51 B F4 Ir N5
• Title of publication: Deactivation of signal amplification by reversible exchange catalysis, progress towards in vivo application.
• Authors of publication: Mewis, Ryan E.; Fekete, Marianna; Green, Gary G. R.; Whitwood, Adrian C.; Duckett, Simon B.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 48
• Pages of publication: 9857 - 9859
• a: 10.3919 ± 0.0003 Å
• b: 13.6438 ± 0.0004 Å
• c: 15.4722 ± 0.0006 Å
• α: 95.673 ± 0.003°
• β: 95.753 ± 0.003°
• γ: 98.925 ± 0.003°
• Cell volume: 2141.59 ± 0.12 ų
• Cell temperature: 110.05 ± 0.1 K
• Ambient diffraction temperature: 110.05 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No