Information card for entry 7027991

Structure parameters

• Formula: C13 H17 Cu F6 N5 P S
• Calculated formula: C13 H11 Cu F6 N5 P S
• Title of publication: Dicopper complexes derived from 4-amino-2,1,3-benzothiadiazole with versatile co-ordination number and geometry
• Authors of publication: Munakata, Megumu; He, Haiyang; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Suenaga, Yuichi
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 9
• Pages of publication: 1499
• a: 8.129 ± 0.006 Å
• b: 18.119 ± 0.007 Å
• c: 12.492 ± 0.007 Å
• α: 90°
• β: 96.84 ± 0.06°
• γ: 90°
• Cell volume: 1826.8 ± 1.8 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.0679
• Goodness-of-fit parameter for significantly intense reflections: 2.125
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No