Information card for entry 7700337

Structure parameters

• Formula: C4 H12 Cu3 N20 O
• Calculated formula: C4 H12 Cu3 N20 O
• Title of publication: Magnetic dimensionality and the crystal structure of two copper(ii) coordination polymers containing Cu₆ and Cu₂ building units.
• Authors of publication: Rad-Yousefnia, Negar; Shaabani, Behrouz; Korabik, Maria; Weselski, Marek; Zahedi, Mansoureh; Englert, Ulli; Bikas, Rahman; Szeliga, Daria; Otręba, Marta; Lis, Tadeusz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 30
• Pages of publication: 11421 - 11432
• a: 8.549 ± 0.003 Å
• b: 12.643 ± 0.005 Å
• c: 16.071 ± 0.006 Å
• α: 90°
• β: 99.2 ± 0.05°
• γ: 90°
• Cell volume: 1714.7 ± 1.1 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 5
• 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: 0.1947
• Residual factor for significantly intense reflections: 0.0965
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.2024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No