Information card for entry 7032013

Structure parameters

• Formula: C40.25 H48.5 B Cl0.5 Ir
• Calculated formula: C40.25 H48 B Cl0.5 Ir
• Title of publication: Synthesis and dynamic behaviour of zwitterionic [M(η(6)-C6H5-BPh3)(coe)2] (M = Rh, Ir) cyclooctene complexes.
• Authors of publication: Pérez-Torrente, Jesús J; Angoy, Marta; Gómez-Bautista, Daniel; Palacios, Adrián; Jiménez, M Victoria; Modrego, F. Javier; Castarlenas, Ricardo; Lahoz, Fernando J.; Oro, Luis A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 39
• Pages of publication: 14778 - 14786
• a: 9.0451 ± 0.0009 Å
• b: 10.6166 ± 0.001 Å
• c: 18.0547 ± 0.0017 Å
• α: 78.6882 ± 0.0012°
• β: 79.865 ± 0.0013°
• γ: 83.4888 ± 0.0011°
• Cell volume: 1668 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No