Information card for entry 7007152

Structure parameters

• Formula: C44.86 H31.08 B3 Cu3 F12 N20.86 O6.02
• Calculated formula: C44.859 H31.077 B3 Cu3 F12 N20.859 O6.018
• Title of publication: Influence of anions on the dimensionality of extended networks based on Cu I cations and 1,4,5,8,9,12-hexaazatriphenylene (HAT) ligands.
• Authors of publication: Shatruk, Mikhail; Chouai, Abdellatif; Dunbar, Kim R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 18
• Pages of publication: 2184 - 2191
• a: 16.766 ± 0.012 Å
• b: 13.565 ± 0.013 Å
• c: 24.967 ± 0.019 Å
• α: 90°
• β: 103.8 ± 0.04°
• γ: 90°
• Cell volume: 5514 ± 8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.1301
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.1847
• Weighted residual factors for all reflections included in the refinement: 0.2153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No