Information card for entry 4347092

Structure parameters

• Common name: [(SiMo12O40)][Cu5Cl2(C10H8N2)5].2H2O
• Formula: C50 H44 Cl2 Cu5 Mo12 N10 O42 Si
• Calculated formula: C50 H44 Cl2 Cu5 Mo12 N10 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: 13.9658 ± 0.0017 Å
• b: 14.2231 ± 0.0016 Å
• c: 21.732 ± 0.002 Å
• α: 85.513 ± 0.008°
• β: 82.56 ± 0.009°
• γ: 63.28 ± 0.012°
• Cell volume: 3822.4 ± 0.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1942
• Residual factor for significantly intense reflections: 0.0969
• Weighted residual factors for significantly intense reflections: 0.1668
• Weighted residual factors for all reflections included in the refinement: 0.2082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No