Information card for entry 4328825

Structure parameters

• Formula: C16 H26 Cu2 F2 N10 O13
• Calculated formula: C16 H26 Cu2 F2 N10 O13
• SMILES: [Cu]1([n]2c(c3[n]1cccn3)nccc2)(F)([OH2])([OH2])ON(=O)=O.[Cu]1([n]2c(c3[n]1cccn3)nccc2)(F)([OH2])([OH2])[OH2].O.O.N(=O)(=O)[O-]
• Title of publication: Synthesis, Structure, and Magnetic Properties of Regular Alternating μ-bpm/di-μ-X Copper(II) Chains (bpm = 2,2'-bipyrimidine; X = OH, F)
• Authors of publication: Nadia Marino; Donatella Armentano; Giovanni De Munno; Joan Cano; Francesc Lloret; Miguel Julve
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4323 - 4334
• a: 22.4518 ± 0.0004 Å
• b: 14.2483 ± 0.0004 Å
• c: 8.6925 ± 0.0002 Å
• α: 90°
• β: 106.161 ± 0.001°
• γ: 90°
• Cell volume: 2670.85 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No