Information card for entry 7011704

Structure parameters

• Formula: C16 H12 Cu N8
• Calculated formula: C16 H12 Cu N8
• Title of publication: Three one-dimensional systems with end-to-end dicyanamide bridges between copper(II) centres: structural and magnetic properties
• Authors of publication: José Carranza; Conor Brennan; Jorunn Sletten; Francesc Lloret; Miguel Julve
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 16
• Pages of publication: 3164 - 3170
• a: 13.106 ± 0.003 Å
• b: 9.14 ± 0.002 Å
• c: 14.19 ± 0.006 Å
• α: 90°
• β: 98.862 ± 0.004°
• γ: 90°
• Cell volume: 1679.5 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0783
• 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