Information card for entry 7061386

Structure parameters

• Formula: C58 H76.5 Cu N4 O28 P0.5 S6 W6
• Calculated formula: C56 H70.16 Cu N4 O26 P0.5 S6 W6
• Title of publication: Two Cu(i)-based inorganic–organic complexes assembled with polyoxometalate and thiacalix[4]arene for efficient catalytic reactions
• Authors of publication: Ma, Le; Guo, Feifan; Ma, Jian-Fang
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 6995 - 7002
• a: 40.8437 ± 0.0011 Å
• b: 12.7317 ± 0.0007 Å
• c: 15.4261 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8021.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.1318
• Residual factor for significantly intense reflections: 0.1138
• Weighted residual factors for significantly intense reflections: 0.2321
• Weighted residual factors for all reflections included in the refinement: 0.2414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No