Information card for entry 4304115

Structure parameters

• Formula: C32 H44 Mo N4 O2
• Calculated formula: C32 H44 Mo N4 O2
• SMILES: [Mo]12(=O)([N](=C(C=C(C)N1c1c(cccc1C)C)C)c1c(cccc1C)C)(=O)[n]1n2c(cc1C(C)(C)C)C(C)(C)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: 15.823 ± 0.003 Å
• b: 14.668 ± 0.003 Å
• c: 26.703 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6198 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No