Information card for entry 7716020

Structure parameters

• Formula: C11 H36 Cu1.5 N16 O42 P W11
• Calculated formula: C11 H33 Cu1.5 N15.5 O42 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
• a: 13.1291 ± 0.0005 Å
• b: 19.1015 ± 0.0007 Å
• c: 20.7513 ± 0.0009 Å
• α: 90°
• β: 93.49 ± 0.004°
• γ: 90°
• Cell volume: 5194.5 ± 0.4 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 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: 0.1262
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.2104
• Weighted residual factors for all reflections included in the refinement: 0.2437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No