Information card for entry 7037426

Structure parameters

• Formula: C61 H61 Cl19 F4 Ir N2 O3 P3 Si
• Calculated formula: C61 H61 Cl19 F4 Ir N2 O3 P3 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: 13.171 ± 0.0016 Å
• b: 15.823 ± 0.002 Å
• c: 38.136 ± 0.005 Å
• α: 90°
• β: 98.969 ± 0.002°
• γ: 90°
• Cell volume: 7850.5 ± 1.7 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No