Information card for entry 4320003

Structure parameters

• Formula: C46 H71 Mo N6 Na O5
• Calculated formula: C46 H71 Mo N6 Na O5
• SMILES: [Mo]123(N(c4ccc(cc4)C(C)(C)C)CC[N]3(CCN1c1ccc(cc1)C(C)(C)C)CCN2c1ccc(cc1)C(C)(C)C)[N]#[N][Na]1234[O]5CC[O]1CC[O]2CC[O]3CC[O]4CC5
• Title of publication: Synthesis, Structure, and Electrochemical Studies of Molybdenum and Tungsten Dinitrogen, Diazenido, and Hydrazido Complexes That Contain Aryl-Substituted Triamidoamine Ligands
• Authors of publication: George E. Greco; Richard R. Schrock
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3861 - 3878
• a: 17.1059 ± 0.0007 Å
• b: 17.1059 ± 0.0007 Å
• c: 16.8153 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4920.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No