Information card for entry 4302238

Structure parameters

• Common name: [Cu3(OH)3(4-pt)3(DMF)4].5DMF.3MeOH
• Formula: C48 H90 Cu3 N24 O15
• Calculated formula: C18 H12 Cu3 N15 O2
• Title of publication: Solid-State Coordination Chemistry of Copper(II) Tetrazolates: Anion Control of Frameworks Constructed from Trinuclear Copper(II) Building Blocks
• Authors of publication: Wayne Ouellette; Hongxue Liu; Charles J. O'Connor; Jon Zubieta
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4655 - 4657
• a: 36.0387 ± 0.0006 Å
• b: 36.0387 ± 0.0006 Å
• c: 36.0387 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 46806.6 ± 1.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 228
• Hermann-Mauguin space group symbol: F d -3 c :2
• Hall space group symbol: -F 4ud 2vw 3
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.2068
• Weighted residual factors for all reflections included in the refinement: 0.2235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No