Information card for entry 4316530

Structure parameters

• Formula: C5 H3 Mo Nd O8 S
• Calculated formula: C5 H3 Mo Nd O8 S
• 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: 35.6918 ± 0.0018 Å
• b: 7.2951 ± 0.0004 Å
• c: 7.4407 ± 0.0004 Å
• α: 90°
• β: 93.73 ± 0.003°
• γ: 90°
• Cell volume: 1933.27 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No