Information card for entry 4319963

Structure parameters

• Formula: C48 H38 Cu3 N8 O14
• Calculated formula: C48 H38 Cu3 N8 O14
• Title of publication: The First Triple-Layer 2-D Coordination Polymer: [Cu3(bpen)(IN)6(H2O)2]
• Authors of publication: Jack Y. Lu; Amy M. Babb
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3261 - 3262
• a: 11.8389 ± 0.0009 Å
• b: 13.3768 ± 0.001 Å
• c: 28.5215 ± 0.0021 Å
• α: 90°
• β: 98.209 ± 0.001°
• γ: 90°
• Cell volume: 4470.6 ± 0.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No