Information card for entry 7007153

Structure parameters

• Formula: C12 H6 Cu F6 N6 P
• Calculated formula: C12 H6 Cu F6 N6 P
• 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: 11.4992 ± 0.0003 Å
• b: 11.4992 ± 0.0003 Å
• c: 12.7341 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1683.85 ± 0.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1877
• Weighted residual factors for all reflections included in the refinement: 0.1882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.232
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No