Information card for entry 4302826

Structure parameters

• Common name: [PhC(H)NNMo(N[t-Bu]Ar)3][AlCl4]
• Formula: C43 H60 Al Cl4 Mo N5
• Calculated formula: C43 H60 Al Cl4 Mo N5
• SMILES: [Mo](=N\N=C\c1ccccc1)(N(c1cc(C)cc(C)c1)C(C)(C)C)(N(c1cc(C)cc(C)c1)C(C)(C)C)N(c1cc(C)cc(C)c1)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: 22.9306 ± 0.0014 Å
• b: 16.7543 ± 0.001 Å
• c: 12.3428 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4741.9 ± 0.5 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No