Information card for entry 4320004

Structure parameters

• Formula: C150 H132 Mg Mo2 N12 O6
• Calculated formula: C150 H132 Mg Mo2 N12 O6
• SMILES: [Mo]123(N(c4cc(cc(c4)c4ccccc4)c4ccccc4)CC[N]3(CCN1c1cc(cc(c1)c1ccccc1)c1ccccc1)CCN2c1cc(cc(c1)c1ccccc1)c1ccccc1)[N]#[N][Mg]12([N]#[N][Mo]345N(c6cc(cc(c6)c6ccccc6)c6ccccc6)CC[N]3(CCN4c3cc(cc(c3)c3ccccc3)c3ccccc3)CCN5c3cc(cc(c3)c3ccccc3)c3ccccc3)([O](C)CC[O]1C)[O](C)CC[O]2C.COCCOC.COCCOC.COCCOC.COCCOC
• 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: 25.316 ± 0.004 Å
• b: 16.114 ± 0.002 Å
• c: 33.761 ± 0.005 Å
• α: 90°
• β: 99.927 ± 0.003°
• γ: 90°
• Cell volume: 13566 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1602
• Residual factor for significantly intense reflections: 0.0981
• Weighted residual factors for significantly intense reflections: 0.2167
• Weighted residual factors for all reflections included in the refinement: 0.2489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No