Information card for entry 4302239

Structure parameters

• Common name: [Cu3Cl4(4-pt)2(4-Hpt)2].4DMF. 2MeOH
• Formula: C19 H27 Cl2 Cu1.5 N12 O3
• Calculated formula: C19 H27 Cl2 Cu1.5 N12 O3
• 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: 11.1039 ± 0.0006 Å
• b: 11.3999 ± 0.0006 Å
• c: 21.9492 ± 0.0011 Å
• α: 90°
• β: 104.62 ± 0.001°
• γ: 90°
• Cell volume: 2688.4 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No