Information card for entry 7230313

Structure parameters

• Formula: C18 H29 Cl2 Ir N4 O2
• Calculated formula: C18 H29 Cl2 Ir N4 O2
• Title of publication: Hydrogen generation from formic acid decomposition on a highly efficient iridium catalyst bearing a diaminoglyoxime ligand
• Authors of publication: Lu, Sheng-Mei; Wang, Zhijun; Wang, Jijie; Li, Jun; Li, Can
• Journal of publication: Green Chemistry
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 8
• Pages of publication: 1835
• a: 9.1521 ± 0.0012 Å
• b: 9.681 ± 0.0012 Å
• c: 11.7658 ± 0.0015 Å
• α: 88.195 ± 0.002°
• β: 86.069 ± 0.002°
• γ: 89.089 ± 0.002°
• Cell volume: 1039.4 ± 0.2 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No