Information card for entry 4347091

Structure parameters

• Formula: C30 H30 Cu2 Mo12 N6 O42 Si
• Calculated formula: C30 H30 Cu2 Mo12 N6 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: 10.854 ± 0.0003 Å
• b: 11.7897 ± 0.0003 Å
• c: 13.2814 ± 0.0003 Å
• α: 105.184 ± 0.001°
• β: 102.807 ± 0.001°
• γ: 114.805 ± 0.001°
• Cell volume: 1378.15 ± 0.06 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: 0.0639
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No