Information card for entry 4347094

Structure parameters

• Common name: [H3(SiMo12O40)2][Cu5(C10H8N2)7].2H2O
• Formula: C70 H64 Cu5 Mo24 N14 O82 Si2
• Calculated formula: C70 H64 Cu5 Mo24 N14 O82 Si2
• 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: 10.895 ± 0.0003 Å
• b: 13.5706 ± 0.0004 Å
• c: 20.6833 ± 0.0006 Å
• α: 85.803 ± 0.001°
• β: 88.489 ± 0.001°
• γ: 78.106 ± 0.001°
• Cell volume: 2984.18 ± 0.15 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.12
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.1871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No