Information card for entry 4318502

Structure parameters

• Formula: C22 H10 Cu F12 N2 O4
• Calculated formula: C22 H10 Cu F12 N2 O4
• Title of publication: New Cd(II)-, Co(II)-, and Cu(II)-Containing Coordination Polymers Synthesized by Using the Rigid Ligand 1,2-Bis(3-pyridyl)ethyne (3,3'-DPA)
• Authors of publication: Md. Badruz Zaman; Mark D. Smith; Delia M. Ciurtin; Hans-Conrad zur Loye
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4895 - 4903
• a: 6.5762 ± 0.0005 Å
• b: 16.1888 ± 0.0011 Å
• c: 11.653 ± 0.0008 Å
• α: 90°
• β: 91.337 ± 0.001°
• γ: 90°
• Cell volume: 1240.25 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0567
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No