Information card for entry 4500109

Structure parameters

• Formula: C66 H60 Cd2 N8 O8
• Calculated formula: C66 H60 Cd2 N8 O8
• Title of publication: Tether Length Control of Topology in Cadmium 4-Methylphthalate Two-Dimensional Coordination Polymers: An Acentric Buckled Grid and a Rare Self-Catenated Layer
• Authors of publication: Farnum, Gregory A.; Pochodylo, Amy L.; LaDuca, Robert L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 3
• Pages of publication: 678
• a: 10.1155 ± 0.0009 Å
• b: 21.3388 ± 0.0018 Å
• c: 27.37 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5907.9 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No