Information card for entry 4304114

Structure parameters

• Formula: C42 H50 Mo2 N4 O4
• Calculated formula: C42 H50 Mo2 N4 O4
• SMILES: C1(=CC(C)=[N](c2c(C)cccc2C)[Mo]23(N1c1c(cccc1C)C)(O[Mo]13(N(C(=CC(C)=[N]1c1c(cccc1C)C)C)c1c(cccc1C)C)(O2)=O)=O)C
• Title of publication: Molybdenum Oxo and Imido Complexes of β-Diketiminate Ligands: Synthesis and Structural Aspects
• Authors of publication: Ganna Lyashenko; Regine Herbst-Irmer; Vojtech Jancik; Aritra Pal; Nadia C. Mösch-Zanetti
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 113 - 120
• a: 19.982 ± 0.003 Å
• b: 8.848 ± 0.002 Å
• c: 23.761 ± 0.002 Å
• α: 90°
• β: 109.81 ± 0.02°
• γ: 90°
• Cell volume: 3952.4 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0197
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No