Information card for entry 7042911

Structure parameters

• Common name: Poly{dihydrogenphosphato-tris(mu-1,2-di(4-pyridyl)ethylene)-bis(mu-pyrazole-3,5-dicarboxylato))pentacopper(II)}
• Formula: C46 H34 Cu5 N10 O16 P2
• Calculated formula: C46 H34 Cu5 N10 O16 P2
• 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: 9.8788 ± 0.0004 Å
• b: 11.1243 ± 0.0004 Å
• c: 13.842 ± 0.0006 Å
• α: 69.776 ± 0.001°
• β: 79.719 ± 0.001°
• γ: 64.406 ± 0.001°
• Cell volume: 1286.56 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No