Information card for entry 4500110

Structure parameters

• Formula: C57 H54 Cd2 N6 O8
• Calculated formula: C57 H54 Cd2 N6 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: 22.0525 ± 0.0017 Å
• b: 23.1373 ± 0.0018 Å
• c: 10.1729 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5190.6 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No