Information card for entry 7105032

Structure parameters

• Formula: C22 H14 Cu N12
• Calculated formula: C22 H14 Cu N12
• Title of publication: Reversible solid-gas chemical equilibrium between a 0-periodic deformable molecular tecton and a 3-periodic coordination architecture.
• Authors of publication: Liu, Deng; Li, Mian; Li, Dan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 45
• Pages of publication: 6943 - 6945
• a: 27.226 ± 0.006 Å
• b: 27.226 ± 0.006 Å
• c: 8.981 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5765.9 ± 4.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1889
• Weighted residual factors for all reflections included in the refinement: 0.2009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No