Information card for entry 7003199

Structure parameters

• Formula: C7 H13 Cu F6 N5 O11 S2
• Calculated formula: C7 H11 Cu F6 N5 O11 S2
• Title of publication: Guanine-containing copper(ii) complexes: synthesis, X-ray structures and magnetic properties
• Authors of publication: Mastropietro, Teresa F.; Armentano, Donatella; Grisolia, Ettore; Zanchini, Claudia; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 4
• Pages of publication: 514 - 520
• a: 8.3167 ± 0.0014 Å
• b: 18.549 ± 0.003 Å
• c: 12.895 ± 0.002 Å
• α: 90°
• β: 93.107 ± 0.004°
• γ: 90°
• Cell volume: 1986.3 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.314
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No