Information card for entry 7040856

Structure parameters

• Formula: C26 H44 O6 P2
• Calculated formula: C26 H44 O6 P2
• SMILES: P(Oc1cc(OP(C(C)(C)C)C(C)(C)C)c(cc1C(=O)OC)C(=O)OC)(C(C)(C)C)C(C)(C)C
• 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: 10.5142 ± 0.0005 Å
• b: 18.0091 ± 0.0009 Å
• c: 16.4272 ± 0.0009 Å
• α: 90°
• β: 107.797 ± 0.002°
• γ: 90°
• Cell volume: 2961.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No