Information card for entry 7040855

Structure parameters

• Formula: C26 H49 Ir N2 O6 P2
• Calculated formula: C26 H49 Ir N2 O6 P2
• SMILES: c12c3c(cc(c1O[P](C(C)(C)C)(C(C)(C)C)[IrH2]2([P](C(C)(C)C)(C(C)(C)C)O3)[NH2]N)C(=O)OC)C(=O)OC
• Title of publication: Iridium(iii) hydrido complexes for the catalytic dehydrogenation of hydrazine borane.
• Authors of publication: Han, D.; Joksch, M.; Klahn, M.; Spannenberg, A.; Drexler, H.-J.; Baumann, W.; Jiao, H.; Knitsch, R.; Hansen, M. R.; Eckert, H.; Beweries, T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 44
• Pages of publication: 17697 - 17704
• a: 40.862 ± 0.002 Å
• b: 40.862 ± 0.002 Å
• c: 11.1596 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16136.8 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No