Information card for entry 4081197

Structure parameters

• Common name: [CY5(NP)DIPP}Ir(H)3]2
• Formula: C58 H71 Ir2 N2 P2
• Calculated formula: C58 H71 Ir2 N2 P2
• Title of publication: Use of the Imine‒Enamine Equilibrium in Cooperative Ligand Design
• Authors of publication: Wambach, Truman C.; Ahn, Jun Myun; Patrick, Brian O.; Fryzuk, Michael D.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 15
• Pages of publication: 4431
• a: 12.314 ± 0.0004 Å
• b: 18.035 ± 0.0006 Å
• c: 23.51 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5221.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0634
• 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