Information card for entry 4312058

Structure parameters

• Formula: C40 H38 Cu2 N10 Na2 O9
• Calculated formula: C40 H38 Cu2 N10 Na2 O9
• SMILES: [Cu]123[O]4[Na]56([O]1c1c([O]6C)cccc1C=[N]3CC[N]2=Cc1c4c([O]5C)ccc1)([N](=C=NC#N)[Na]123([O]4[Cu]56[O]1c1c([O]3C)cccc1C=[N]6CC[N]5=Cc1c4c([O]2C)ccc1)[OH2])N=C=NC#N
• Title of publication: Synthesis, Structure, and Magnetic Properties of Heterometallic Dicyanamide-Bridged Cu-Na and Cu-Gd One-Dimensional Polymers
• Authors of publication: Jean-Pierre Costes; Ghenadie Novitchi; Sergiu Shova; Françoise Dahan; Bruno Donnadieu; Jean-Pierre Tuchagues
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7792 - 7799
• a: 21.5284 ± 0.0017 Å
• b: 17.046 ± 0.002 Å
• c: 22.928 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8414 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No