Information card for entry 4302825

Structure parameters

• Common name: [PhC(H)NNMo(N[t-Bu]Ar)3]2
• Formula: C102 H152 Mo2 N10 O4
• Calculated formula: C102 H152 Mo2 N10 O4
• SMILES: N(c1cc(cc(c1)C)C)(C(C)(C)C)[Mo](N(c1cc(cc(c1)C)C)C(C)(C)C)(/N=N/[C@H]([C@@H](/N=N/[Mo](N(c1cc(cc(c1)C)C)C(C)(C)C)(N(c1cc(cc(c1)C)C)C(C)(C)C)N(c1cc(cc(c1)C)C)C(C)(C)C)c1ccccc1)c1ccccc1)N(c1cc(cc(c1)C)C)C(C)(C)C.C1COCC1.C1CCCO1.C1COCC1.C1CCCO1
• 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: 28.188 ± 0.002 Å
• b: 10.3537 ± 0.0007 Å
• c: 17.5606 ± 0.0014 Å
• α: 90°
• β: 106.209 ± 0.003°
• γ: 90°
• Cell volume: 4921.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No