Information card for entry 7037427

Structure parameters

• Formula: C53 H48 Cl3 F4 Ir N2 P2 Si
• Calculated formula: C53 H48 Cl3 F4 Ir N2 P2 Si
• Title of publication: En route to phosphonato iridium(i) complexes: the decisive effect of an intramolecular hydrogen bond.
• Authors of publication: Passarelli, Vincenzo; Pérez-Torrente, Jesús J; Oro, Luis A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 3
• Pages of publication: 951 - 962
• a: 10.2012 ± 0.0005 Å
• b: 11.3266 ± 0.0005 Å
• c: 21.6766 ± 0.001 Å
• α: 81.343 ± 0.001°
• β: 87.576 ± 0.001°
• γ: 76.032 ± 0.001°
• Cell volume: 2402.82 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No