Information card for entry 4305595

Structure parameters

• Formula: C18 H64 F2 Mo8 N6 O31
• Calculated formula: C18 H54 F2 Mo8 N6 O31
• Title of publication: Synthetic Approaches for Noncentrosymmetric Molybdates
• Authors of publication: Desmond J. Hubbard; Alexander R. Johnston; Hernan Sanchez Casalongue; Amy Narducci Sarjeant; Alexander J. Norquist
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8518 - 8525
• a: 12.055 ± 0.0018 Å
• b: 13.9286 ± 0.0012 Å
• c: 15.357 ± 0.003 Å
• α: 76.302 ± 0.012°
• β: 83.388 ± 0.015°
• γ: 70.958 ± 0.01°
• Cell volume: 2366.1 ± 0.6 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for all reflections: 0.0983
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No