Information card for entry 7054713

Structure parameters

• Formula: C48 H44 Cu4 Mo12 N16 O42 Si
• Calculated formula: C48 H40 Cu4 Mo12 N16 O42 Si
• Title of publication: Tuning the topology structures of polymolybdate-based hybrids from interpenetrated framework to interdigitated architecture via changing polymolybdate clusters
• Authors of publication: Li, Shaobin; Zhang, Li; Ma, Huiyuan; Pang, Haijun; Zhao, Chunyan
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 5
• Pages of publication: 3528
• a: 10.9784 ± 0.0009 Å
• b: 14.048 ± 0.0011 Å
• c: 14.5469 ± 0.0012 Å
• α: 110.234 ± 0.002°
• β: 107.408 ± 0.001°
• γ: 102.658 ± 0.001°
• Cell volume: 1873.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0902
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No