Information card for entry 4301747

Structure parameters

• Formula: C16 H41 Cl N3 Os P
• Calculated formula: C16 H41 Cl N3 Os P
• SMILES: [OsH3]12([P](C(C)C)(C(C)C)C(C)C)[NH]3CC[NH]1CC[NH]2CCC3.[Cl-]
• Title of publication: Monocationic Trihydride and Dicationic Dihydride-Dihydrogen and Bis(dihydrogen) Osmium Complexes Containing Cyclic and Acyclic Triamine Ligands: Influence of the N-Os-N Angles on the Hydrogen-Hydrogen Interactions
• Authors of publication: Miguel Baya; Miguel A. Esteruelas; Montserrat Oliván; Enrique Oñate
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2677 - 2686
• a: 11.0652 ± 0.0012 Å
• b: 13.6318 ± 0.0015 Å
• c: 14.0989 ± 0.0015 Å
• α: 90°
• β: 101.078 ± 0.002°
• γ: 90°
• Cell volume: 2087 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0366
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No