Information card for entry 4506220

Structure parameters

• Formula: C36 H38 Br2 Cu N8 O9
• Calculated formula: C36 H28 Br2 Cu N8 O8
• Title of publication: Sequestering Hydrated Fluoride in a Three-Dimensional Non-Interpenetrated Octahedral Coordination Polymer via a Single-Crystal-to-Single-Crystal Fashion
• Authors of publication: Adarsh, N. N.; Grélard, Axelle; Dufourc, Erick J.; Dastidar, Parthasarathi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 3369
• a: 20.658 ± 0.003 Å
• b: 20.658 ± 0.003 Å
• c: 5.6117 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2394.8 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.1369
• Residual factor for significantly intense reflections: 0.1254
• Weighted residual factors for significantly intense reflections: 0.3298
• Weighted residual factors for all reflections included in the refinement: 0.3404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No