Information card for entry 4347093

Structure parameters

• Common name: [(H4SiMo12O40)][(C10H8N2)2].2H2O
• Formula: C20 H24 Cl0 Cu0 Mo12 N4 O42 Si
• Calculated formula: C20 H24 Mo12 N4 O42 Si
• Title of publication: Crystal Structure and Band Gap Engineering in Polyoxometalate-Based Inorganic-Organic Hybrids.
• Authors of publication: Roy, Soumyabrata; Sarkar, Sumanta; Pan, Jaysree; Waghmare, Umesh V.; Dhanya, R.; Narayana, Chandrabhas; Peter, Sebastian C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 3364 - 3377
• a: 11.5292 ± 0.0004 Å
• b: 12.0812 ± 0.0005 Å
• c: 17.3184 ± 0.0007 Å
• α: 90°
• β: 103.319 ± 0.002°
• γ: 90°
• Cell volume: 2347.34 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295.15 K
• Number of distinct elements: 8
• 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: 0.1021
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.289
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No