Information card for entry 4319487

Structure parameters

• Formula: C20 H34 Cu2 N4 O16 P2
• Calculated formula: C20 H34 Cu2 N4 O16 P2
• SMILES: [Cu]12(OP3(=O)OP(=O)(O1)O[Cu]1([n]4c(c5[n]1cccc5)cccc4)(O3)[OH2])([n]1ccccc1c1cccc[n]21)[OH2].O.O.O.O.O.O.O
• Title of publication: Structure and Magnetic Properties of a Pyrophosphate-Bridged Cu(II) Complex
• Authors of publication: Paul E. Kruger; Robert P. Doyle; Miguel Julve; Francesc Lloret; Mark Nieuwenhuyzen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1726 - 1727
• a: 8.246 ± 0.001 Å
• b: 9.478 ± 0.002 Å
• c: 20.013 ± 0.004 Å
• α: 84.71 ± 0.02°
• β: 87.77 ± 0.01°
• γ: 74.05 ± 0.01°
• Cell volume: 1497.4 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections: 0.1298
• Weighted residual factors for significantly intense reflections: 0.1171
• Goodness-of-fit parameter for all reflections: 1.085
• Goodness-of-fit parameter for significantly intense reflections: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No