Information card for entry 2232964

Structure parameters

• Chemical name: μ-Oxido-bis[chlorido(4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')dioxidomolybdenum(VI)] 0.2-hydrate
• Formula: C36 H48.4 Cl2 Mo2 N4 O5.2
• Calculated formula: C36 H48 Cl2 Mo2 N4 O5.2
• Title of publication: μ-Oxido-bis[chlorido(4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')dioxidomolybdenum(VI)] 0.2-hydrate
• Authors of publication: Gomes, Ana C.; Fernandes, José A.; Gamelas, Carla A.; Gonçalves, Isabel S.; Almeida Paz, Filipe A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1738 - m1739
• a: 16.9997 ± 0.0007 Å
• b: 12.7444 ± 0.0006 Å
• c: 18.4609 ± 0.0008 Å
• α: 90°
• β: 99.582 ± 0.002°
• γ: 90°
• Cell volume: 3943.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes