Information card for entry 4511383

Structure parameters

• Formula: C47 H36 Cd F3 N3 O5
• Calculated formula: C47 H36 Cd F3 N3 O5
• Title of publication: Stepwise Host‒Guest [2 + 2] Photoreaction in a Hydrogen-Bonded One-Dimensional Coordination Polymer to a Two-Dimensional Layered Structure
• Authors of publication: Medishetty, Raghavender; Tandiana, Rika; Vittal, Jagadese J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 3186
• a: 29.311 ± 0.003 Å
• b: 5.9604 ± 0.0005 Å
• c: 21.7006 ± 0.0019 Å
• α: 90°
• β: 94.511 ± 0.002°
• γ: 90°
• Cell volume: 3779.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0558
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No