Information card for entry 7242633

Structure parameters

• Formula: C120 H98 Cu4 Mo12 N16 O60 P
• Calculated formula: C120 H98 Cu4 Mo12 N16 O60 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: 14.386 ± 0.001 Å
• b: 14.6213 ± 0.001 Å
• c: 18.0964 ± 0.0013 Å
• α: 98.825 ± 0.002°
• β: 92.764 ± 0.002°
• γ: 112.21 ± 0.001°
• Cell volume: 3458.7 ± 0.4 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 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: 0.136
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No