Information card for entry 1100140

Structure parameters

• Common name: (Cu3Cl2(OH)3(2-pymo)(4,4'-bpy)1.5)n(NO3)n.6.25nH2O
• Formula: C34 H41.5 Cl2 Cu3 N9 O12.25
• Calculated formula: C34 H27 Cl2 Cu3 N9 O12.25
• Title of publication: Heteroleptic pyrimidine-2-olate and 4,4[prime or minute]-bipyridine copper(II) layered metal-organic frameworks with swelling properties.
• Authors of publication: Barea, Elisa; Quiros, Miguel; Navarro, Jorge A. R.; Salas, Juan M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 9
• Pages of publication: 1743 - 1746
• a: 17.076 ± 0.003 Å
• b: 19.341 ± 0.003 Å
• c: 13.481 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4452.3 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.1154
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.201
• Weighted residual factors for all reflections included in the refinement: 0.2176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No