Information card for entry 7703013

Structure parameters

• Chemical name: copper 6-hydroxy-2-naphtylphosphonate hydrate
• Formula: C20 H20 Cu2 O11 P2
• Calculated formula: C20 H20 Cu2 O11 P2
• Title of publication: M(H₂O)(PO₃C₁₀H₆OH)·(H₂O)_0.5 (M = Co, Mn, Zn, Cu): a new series of layered metallophosphonate compounds obtained from 6-hydroxy-2-naphthylphosphonic acid.
• Authors of publication: Beaubras, Félicien; Rueff, Jean-Michel; Perez, Olivier; Veillon, Fabien; Caignaert, Vincent; Lohier, Jean-François; Cardin, Julien; Rogez, Guillaume; Jestin, Charlotte; Couthon, Hélène; Jaffrès, Paul-Alain
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 12
• Pages of publication: 3877 - 3891
• a: 5.66017 ± 0.00004 Å
• b: 4.75153 ± 0.00004 Å
• c: 41.095 ± 0.0003 Å
• α: 90°
• β: 93.0499 ± 0.0006°
• γ: 90°
• Cell volume: 1103.66 ± 0.015 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.264
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No