Information card for entry 7708465

Structure parameters

• Formula: C68 H94 Mo N3 O3
• Calculated formula: C68 H94 Mo N3 O3
• Title of publication: Reduction of highly bulky triphenolamine molybdenum nitrido and chloride complexes
• Authors of publication: Bae, Dae Young; Lee, Gunhee; Lee, Eunsung
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 21.558 ± 0.004 Å
• b: 16.423 ± 0.003 Å
• c: 18.064 ± 0.004 Å
• α: 90°
• β: 103.13 ± 0.03°
• γ: 90°
• Cell volume: 6228 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No