Information card for entry 4316531

Structure parameters

• Formula: C10 H5 Mo2 Nd2 O14 S2
• Calculated formula: C10 H6 Mo2 Nd2 O16 S2
• Title of publication: Synthesis and Structure of Pillared Molybdates and Tungstates with Framework Layers
• Authors of publication: Jennifer L. Nicholls; Sarah E. Hulse; Samantha K. Callear; Graham J. Tizzard; Richard A. Stephenson; Michael B. Hursthouse; William Clegg; Ross W. Harrington; Andrew M. Fogg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8545 - 8551
• a: 16.9552 ± 0.0009 Å
• b: 7.3924 ± 0.0004 Å
• c: 7.529 ± 0.0004 Å
• α: 90°
• β: 91.079 ± 0.003°
• γ: 90°
• Cell volume: 943.51 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0568
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No