Information card for entry 4306110

Structure parameters

• Formula: C50 H109 Cl3 N3 P4 Ru2 Si4
• Calculated formula: C50 H109 Cl3 N3 P4 Ru2 Si4
• SMILES: [Ru]12([P](C[Si](N2[Si](C)(C)C[P]1(C(C)(C)C)C(C)(C)C)(C)C)(C(C)(C)C)C(C)(C)C)=Nc1ccccc1.[Ru]12(Cl)(Cl)(Cl)[P](C[Si](N2[Si](C)(C)C[P]1(C(C)(C)C)C(C)(C)C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Influence of the Metal Orbital Occupancy and Principal Quantum Number on Organoazide (RN3) Conversion to Transition-Metal Imide Complexes
• Authors of publication: Amy N. Walstrom; Benjamin C. Fullmer; Hongjun Fan; Maren Pink; Drew T. Buschhorn; Kenneth G. Caulton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9002 - 9009
• a: 11.6677 ± 0.0005 Å
• b: 18.9815 ± 0.0008 Å
• c: 29.6913 ± 0.0014 Å
• α: 90°
• β: 91.4844 ± 0.001°
• γ: 90°
• Cell volume: 6573.5 ± 0.5 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• 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: 0.0621
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No