Information card for entry 7039971

Structure parameters

• Formula: C84 H100 Cl10 Ir2 N4 O2 P4
• Calculated formula: C84 H96 Cl10 Ir2 N4 O2 P4
• Title of publication: N-Heterocyclic olefins as ancillary ligands in catalysis: a study of their behaviour in transfer hydrogenation reactions.
• Authors of publication: Iturmendi, Amaia; García, Nestor; Jaseer, E. A.; Munárriz, Julen; Sanz Miguel, Pablo J.; Polo, Victor; Iglesias, Manuel; Oro, Luis A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 32
• Pages of publication: 12835 - 12845
• a: 13.9013 ± 0.0007 Å
• b: 17.4906 ± 0.0009 Å
• c: 20.0339 ± 0.0011 Å
• α: 93.695 ± 0.001°
• β: 105.632 ± 0.001°
• γ: 110.417 ± 0.001°
• Cell volume: 4327.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0714
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1525
• Weighted residual factors for all reflections included in the refinement: 0.1628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No