Information card for entry 7054712

Structure parameters

• Formula: C36 H40 Cu Mo12 N12 O44 P
• Calculated formula: C36 H36 Cu Mo12 N12 O44 P
• 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: 11.158 ± 0.005 Å
• b: 12.946 ± 0.005 Å
• c: 13.292 ± 0.005 Å
• α: 97.478 ± 0.005°
• β: 112.381 ± 0.005°
• γ: 104.018 ± 0.005°
• Cell volume: 1668.8 ± 1.2 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: 0.0994
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1931
• Weighted residual factors for all reflections included in the refinement: 0.2236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No