Information card for entry 4001076

Structure parameters

• Formula: C18 H13 Cu N O4.5
• Calculated formula: C18 H13 Cu N O4.5
• Title of publication: New Interpenetrated Copper Coordination Polymer Frameworks having Porous Properties
• Authors of publication: Kanoo, Prakash; Matsuda, Ryotaro; Higuchi, Masakazu; Kitagawa, Susumu; Maji, Tapas Kumar
• Journal of publication: Chemistry of Materials
• Year of publication: 2009
• Journal volume: 21
• Journal issue: 24
• Pages of publication: 5860
• a: 17.094 ± 0.003 Å
• b: 19.605 ± 0.003 Å
• c: 11.782 ± 0.002 Å
• α: 90°
• β: 113.95 ± 0.004°
• γ: 90°
• Cell volume: 3608.5 ± 1 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 5
• 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: 0.0763
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1709
• Weighted residual factors for all reflections included in the refinement: 0.1903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No