Information card for entry 7242636

Structure parameters

• Formula: C210 H178 Cu6 Mo24 N28 O114 Si2
• Calculated formula: C210 H180 Cu6 Mo24 N28 O114 Si2
• 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: 16.2488 ± 0.001 Å
• b: 19.1465 ± 0.0012 Å
• c: 24.0881 ± 0.0014 Å
• α: 67.688 ± 0.001°
• β: 71.651 ± 0.001°
• γ: 66.913 ± 0.001°
• Cell volume: 6255.3 ± 0.7 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.1161
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No