Information card for entry 7716022

Structure parameters

• Formula: C11 H46 Cu1.5 N16 O47 P W11
• Calculated formula: C11 H33.5 Cu1.5 N16 O47 P W11
• Title of publication: Crystal-to-crystal polymerisation of monosubstituted [PW₁₁O₃₉Cu(H₂O)]^5- Keggin-type anions.
• Authors of publication: Ruiz-Bilbao, Estibaliz; Pache, Aroa; Barrenechea, Unai; Reinoso, Santiago; San Felices, Leire; Vivanco, Maria dM; Lezama, Luis; Artetxe, Beñat; Gutiérrez-Zorrilla, Juan M
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 21
• Pages of publication: 9042 - 9051
• a: 11.96551 ± 0.00018 Å
• b: 21.5917 ± 0.0003 Å
• c: 22.2169 ± 0.0003 Å
• α: 90°
• β: 93.8906 ± 0.0014°
• γ: 90°
• Cell volume: 5726.63 ± 0.14 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No