Information card for entry 7212409

Structure parameters

• Formula: C33 H30 Cu2 N2 O8
• Calculated formula: C33 H30 Cu2 N2 O8
• Title of publication: Isomer dependent self-penetrated topologies and cluster subunits in copper phenylenediacetate coordination polymers with flexible dipyridyl ligands
• Authors of publication: Sposato, Laura K.; Nettleman, Joseph A.; LaDuca, Robert L.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 2374
• a: 24.3822 ± 0.0019 Å
• b: 12.6226 ± 0.001 Å
• c: 10.0392 ± 0.0008 Å
• α: 90°
• β: 95.283 ± 0.002°
• γ: 90°
• Cell volume: 3076.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No