Information card for entry 4301267

Structure parameters

• Formula: C16 H8 Cl Cu N3 O8
• Calculated formula: C16 H8 Cl Cu N3 O8
• Title of publication: One-Dimensional CoII and CuII Coordination Polymers and a Discrete CuII4 Complex of Carboxylate-Appended (2-Pyridyl)alkylamine Ligands: Spin-Canting and Anti-/Ferromagnetic Coupling
• Authors of publication: Himanshu Arora; Francesc Lloret; Rabindranath Mukherjee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1158 - 1167
• a: 10.2179 ± 0.0014 Å
• b: 8.6838 ± 0.0012 Å
• c: 23.262 ± 0.003 Å
• α: 90°
• β: 102.055 ± 0.003°
• γ: 90°
• Cell volume: 2018.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1659
• Residual factor for significantly intense reflections: 0.1088
• Weighted residual factors for significantly intense reflections: 0.2397
• Weighted residual factors for all reflections included in the refinement: 0.2758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No