Information card for entry 2213528

Structure parameters

• Chemical name: Poly[aquadi-μ~3~-dicyanamido-di-μ~2~-dicyanamido-dicopper(II)]
• Formula: C8 H2 Cu2 N12 O
• Calculated formula: C8 H2 Cu2 N12 O
• SMILES: [Cu+2].O.N#C[N-]C#N.N#C[N-]C#N
• Title of publication: Poly[aquadi-μ~3~-dicyanamido-di-μ~2~-dicyanamido-dicopper(II)]
• Authors of publication: Kožíšek, Jozef; Díaz, Jesús García; Albor, Atzimba García
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: i125 - i126
• a: 21.8718 ± 0.0011 Å
• b: 6.8726 ± 0.0003 Å
• c: 8.8127 ± 0.0004 Å
• α: 90°
• β: 100.199 ± 0.004°
• γ: 90°
• Cell volume: 1303.76 ± 0.11 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0172
• Residual factor for significantly intense reflections: 0.0169
• Weighted residual factors for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections included in the refinement: 0.0475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes