Information card for entry 4516375

Structure parameters

• Formula: C25 H18 Cu2 N6 O12
• Calculated formula: C25 H18 Cu2 N6 O12
• Title of publication: Structure of a Porous Cu2(pzdc)2(bpp) (pzdc: Pyrazine-2,3-dicarboxylate, bpp: 1,3-Bis(4-pyridyl)propane) Coordination Polymer and Flexibility upon Concomitant Hysteretic CO2Adsorption
• Authors of publication: Hernández-Maldonado, Arturo J.; Arrieta-Pérez, Rodinson R.; Primera-Pedrozo, José N.; Exley, Jason
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 4123
• a: 13.3 ± 0.003 Å
• b: 13.112 ± 0.007 Å
• c: 10.808 ± 0.005 Å
• α: 90°
• β: 101.28 ± 0.04°
• γ: 90°
• Cell volume: 1848.4 ± 1.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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
• RFsqd: 0.26184
• Goodness-of-fit parameter for all reflections: 12.88
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No