Information card for entry 2228246

Structure parameters

• Chemical name: (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')[2-<i>tert</i>- butylanilinato(2-)]dichloridooxidomolybdenum(VI) dichloromethane hemisolvate
• Formula: C20.5 H22 Cl3 Mo N3 O
• Calculated formula: C20.5 H22 Cl3 Mo N3 O
• Title of publication: (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')[2-<i>tert</i>-butylanilinato(2{-})]dichloridooxidomolybdenum(VI) dichloromethane hemisolvate
• Authors of publication: Nielson, Alastair J.; Waters, Joyce M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1659 - m1660
• a: 17.4207 ± 0.0002 Å
• b: 14.9657 ± 0.0001 Å
• c: 16.5237 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4307.94 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes