Information card for entry 4332613

Structure parameters

• Formula: C14 H40 Mo8 N4 O30
• Calculated formula: C14 H40 Mo8 N4 O30
• Title of publication: Directed Synthesis of Noncentrosymmetric Molybdates Using Composition Space Analysis
• Authors of publication: Veltman, Thomas R.; Stover, Adam K.; Narducci Sarjeant, Amy; Ok, Kang Min; Halasyamani, P. Shiv; Norquist, Alexander J.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 5529 - 5537
• a: 7.9547 ± 0.0003 Å
• b: 11.0404 ± 0.0005 Å
• c: 20.6373 ± 0.0007 Å
• α: 90°
• β: 94.684 ± 0.003°
• γ: 90°
• Cell volume: 1806.38 ± 0.12 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• 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: 0.033
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for all reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9495
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No