Information card for entry 7052327

Structure parameters

• Formula: C23 H24 Cu F6 N8 O5 Si
• Calculated formula: C23 H24 Cu F6 N8 O5 Si
• Title of publication: Exploring conformationally flexible hydrogen-bond-functionalized ligand and counter anions in metal?organic frameworks of Cu(ii)
• Authors of publication: Krishna Kumar, D.; Das, Amitava; Dastidar, Parthasarathi
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 9
• Pages of publication: 1267
• a: 21.398 ± 0.002 Å
• b: 17.9035 ± 0.0017 Å
• c: 17.4386 ± 0.0017 Å
• α: 90°
• β: 105.302 ± 0.002°
• γ: 90°
• Cell volume: 6443.9 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1446
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1677
• Weighted residual factors for all reflections included in the refinement: 0.1931
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No