Information card for entry 4301745

Structure parameters

• Formula: C15 H39 Cl N3 Os P
• Calculated formula: C15 H39 Cl N3 Os P
• SMILES: [OsH3]12([P](C(C)C)(C(C)C)C(C)C)[NH]3CC[NH]1CC[NH]2CC3.[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: 35.985 ± 0.006 Å
• b: 8.0796 ± 0.0014 Å
• c: 14.499 ± 0.003 Å
• α: 90°
• β: 99.758 ± 0.003°
• γ: 90°
• Cell volume: 4154.5 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No