Information card for entry 7242635

Structure parameters

• Formula: C48 H42 Cu2 Mo12 N9 O48 P
• Calculated formula: C48 H42 Cu2 Mo12 N9 O48 P
• Title of publication: Assembly, structures and properties of polyoxometalate-based supramolecular complexes involving in situ transformation of single-branch N-donor cyano ligands
• Authors of publication: Wang, Xiang; Li, Yunhui; Zhang, Tong; Ma, Sijia; Wang, Xiuli
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 19
• Pages of publication: 3477 - 3487
• a: 13.186 ± 0.005 Å
• b: 16.56 ± 0.005 Å
• c: 17.567 ± 0.005 Å
• α: 86.945 ± 0.005°
• β: 86.378 ± 0.005°
• γ: 76.76 ± 0.005°
• Cell volume: 3724 ± 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: 0.0716
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No