Information card for entry 4301744

Structure parameters

• Formula: C14 H39 Cl3 N3 Os P
• Calculated formula: C14 H39 Cl3 N3 Os P
• SMILES: [OsH3]12([P](C(C)C)(C(C)C)C(C)C)[NH](CC[NH2]1)CC[NH2]2.[Cl-].ClCCl
• 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: 8.3616 ± 0.0006 Å
• b: 9.5846 ± 0.0007 Å
• c: 13.6773 ± 0.0011 Å
• α: 90°
• β: 91.93 ± 0.001°
• γ: 90°
• Cell volume: 1095.51 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0206
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No