Information card for entry 4311151

Structure parameters

• Formula: C41 H68 Mo N4 O2
• Calculated formula: C41 H68 Mo N4 O2
• SMILES: [Mo]123(=NC(C)(C)C)(=NC(C)(C)C)N(CCCN1Cc1c(O3)c(cc(c1)C(C)(C)C)C(C)(C)C)Cc1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis, Structure, and Catalytic Oxidation Chemistry from the First Oxo-Imido Schiff Base Metal Complexes
• Authors of publication: Ramkrishna Ramnauth; Salih Al-Juaid; Majid Motevalli; Bernardetta C. Parkin; Alice C. Sullivan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4072 - 4079
• a: 10.692 ± 0.002 Å
• b: 14.707 ± 0.008 Å
• c: 14.983 ± 0.009 Å
• α: 116.38 ± 0.08°
• β: 95.25 ± 0.09°
• γ: 82.4 ± 0.09°
• Cell volume: 2091 ± 2 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No