Information card for entry 4131758

Structure parameters

• Formula: C36 H54 Os P3 Si
• Calculated formula: C36 H54 Os P3 Si
• SMILES: [Os]123[P](C(C)C)(c4c([Si]3(c3ccccc3[P]2(C(C)C)C(C)C)c2c([P]1(C(C)C)C(C)C)cccc2)cccc4)C(C)C
• Title of publication: Catalytic Nitrogen-to-Ammonia Conversion by Osmium and Ruthenium Complexes.
• Authors of publication: Fajardo, Jr, Javier; Peters, Jonas C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 45
• Pages of publication: 16105 - 16108
• a: 11.1667 ± 0.0018 Å
• b: 11.2875 ± 0.0018 Å
• c: 16.677 ± 0.003 Å
• α: 100.081 ± 0.006°
• β: 94.097 ± 0.006°
• γ: 118.576 ± 0.005°
• Cell volume: 1788 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.06 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0247
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No