Information card for entry 7042912

Structure parameters

• Common name: Poly{hexakis(mu-1,2-di(4-pyridyl)ethylene)-tetrakis(mu3-pyrazole-3,5-dicarboxylato)tetracopper(I)tetracopper(II)}
• Formula: C184 H128 Cu16 N40 O32
• Calculated formula: C184 H128 Cu16 N40 O32
• Title of publication: Anion-dependent self-assembly of copper coordination polymers based on pyrazole-3,5-dicarboxylate and 1,2-di(4-pyridyl)ethylene.
• Authors of publication: Klongdee, Fatima; Boonmak, Jaursup; Youngme, Sujittra
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 4806 - 4815
• a: 16.357 ± 0.0007 Å
• b: 26.4808 ± 0.0012 Å
• c: 21.434 ± 0.0009 Å
• α: 90°
• β: 93.773 ± 0.001°
• γ: 90°
• Cell volume: 9263.9 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1516
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No