Information card for entry 4324176

Structure parameters

• Formula: C48 H86 Cu4 N12 O39 P4
• Calculated formula: C48 H26 Cu4 N12 O39 P4
• Title of publication: Pyrophosphate-Mediated Magnetic Interactions in Cu(II) Coordination Complexes
• Authors of publication: Nadia Marino; Oluwatayo. F. Ikotun; Miguel Julve; Francesc Lloret; Juan Cano; Robert P. Doyle
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 378 - 389
• a: 12.942 ± 0.005 Å
• b: 21.485 ± 0.008 Å
• c: 13.046 ± 0.008 Å
• α: 90°
• β: 91.646 ± 0.006°
• γ: 90°
• Cell volume: 3626 ± 3 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 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: 0.1213
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.1888
• Weighted residual factors for all reflections included in the refinement: 0.2216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No