Information card for entry 7006954

Structure parameters

• Formula: C20 H29 Cu2 N4 O11 P
• Calculated formula: C20 H28 Cu2 N4 O11 P
• SMILES: [Cu]13([OH][Cu]4([n]5c(c6[n]4cccc6)cccc5)([OH]1)[OH2])(OP(=O)([O-])[O-])[n]1ccccc1c1cccc[n]31.O.O.O.O
• Title of publication: Hydrogen-bond tuning of ferromagnetic interactions: synthesis, structure and magnetic properties of polynuclear copper(II) complexes incorporating p-block oxo-anions.
• Authors of publication: Doyle, Robert P.; Julve, Miguel; Lloret, Francesc; Nieuwenhuyzen, Mark; Kruger, Paul E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 17
• Pages of publication: 2081 - 2088
• a: 9.6485 ± 0.0006 Å
• b: 34.413 ± 0.002 Å
• c: 7.781 ± 0.0005 Å
• α: 90°
• β: 103.3 ± 0.001°
• γ: 90°
• Cell volume: 2514.3 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.05
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No