Information card for entry 4302827

Structure parameters

• Common name: [4-(NMe2)C6H4C(H)NNMo(N[t-Bu]Ar)3][AlCl4]
• Formula: C45 H65 Al Cl4 Mo N6
• Calculated formula: C45 H65 Al Cl4 Mo N6
• SMILES: [Mo](N(c1cc(cc(c1)C)C)C(C)(C)C)(N(c1cc(cc(c1)C)C)C(C)(C)C)(=N\N=C\c1ccc(N(C)C)cc1)N(c1cc(cc(c1)C)C)C(C)(C)C.[Al](Cl)(Cl)(Cl)[Cl-]
• Title of publication: Synthesis and Reversible Reductive Coupling of Cationic, Dinitrogen-Derived Diazoalkane Complexes
• Authors of publication: John J. Curley; Tetsuro Murahashi; Christopher C. Cummins
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 7181 - 7193
• a: 11.08 ± 0.002 Å
• b: 19.933 ± 0.004 Å
• c: 22.971 ± 0.005 Å
• α: 90°
• β: 95.85 ± 0.03°
• γ: 90°
• Cell volume: 5046.9 ± 1.8 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 6
• 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: 0.0645
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No