Information card for entry 4514395

Structure parameters

• Common name: jonhy12
• Formula: C28 H43 Ir N2 O7
• Calculated formula: C28 H43 Ir N2 O7
• Title of publication: Effect of Carboxylate Ligands on Alkane Dehydrogenation with (dmPhebox)Ir Complexes
• Authors of publication: Yuan, Hongmei; Brennessel, William W.; Jones, William D.
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 3
• Pages of publication: 2326
• a: 17.9996 ± 0.0009 Å
• b: 11.5553 ± 0.0006 Å
• c: 15.0325 ± 0.0008 Å
• α: 90°
• β: 100.311 ± 0.001°
• γ: 90°
• Cell volume: 3076.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No