Information card for entry 7010487

Structure parameters

• Formula: C12 H22 Cu2 N6 O16 S2
• Calculated formula: C12 H22 Cu2 N6 O16 S2
• Title of publication: Syntheses, crystal structures and magnetic properties of polynuclear 1,4,5,8,9,12-hexaazatriphenylene (hat)-bridged copper(II) complexes
• Authors of publication: Grove, Hilde; Sletten, Jorunn; Julve, Miguel; Lloret, Francesc
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 7
• Pages of publication: 1029
• a: 13.5778 ± 0.0004 Å
• b: 9.4149 ± 0.0001 Å
• c: 17.8842 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2286.2 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.0698
• Goodness-of-fit parameter for all reflections: 1.042
• Goodness-of-fit parameter for significantly intense reflections: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No