Information card for entry 4084767

Structure parameters

• Formula: C71 H86 B2 Cl2 Ir2 N12 O20
• Calculated formula: C71 H86 B2 Cl2 Ir2 N12 O20
• Title of publication: Reactivity of TpMe2-Containing Hydride‒Iridafurans with Alkenes, Alkynes, and H2
• Authors of publication: Vivancos, Ángela; Posadas, Cristina M.; Hernández, Yohar A.; Rendón, Nuria; Garc\?ía-Rub\?ín, Silvia; Álvarez, Eleuterio; Paneque, Margarita; Poveda, Manuel L.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 22
• Pages of publication: 6431
• a: 8.618 ± 0.0002 Å
• b: 12.6109 ± 0.0003 Å
• c: 19.4614 ± 0.0004 Å
• α: 107.994 ± 0.001°
• β: 93.427 ± 0.001°
• γ: 105.508 ± 0.001°
• Cell volume: 1914.86 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No