Information card for entry 7055240

Structure parameters

• Formula: C56 H105.54 Mo6 N4 O18
• Calculated formula: C56 H105.543 Mo6 N4 O18
• Title of publication: New sterically encumbered arylimido hexamolybdates for organic oxidation reactions
• Authors of publication: Jangir, Ritambhara; Antony, Rajendran; Murugavel, Ramaswamy
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 2
• Pages of publication: 1004
• a: 23.8986 ± 0.0005 Å
• b: 15.7862 ± 0.0002 Å
• c: 20.1555 ± 0.0005 Å
• α: 90°
• β: 112.883 ± 0.002°
• γ: 90°
• Cell volume: 7005.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0879
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No