Information card for entry 4308472

Structure parameters

• Formula: C14 H16 Cl Cu N8 O4
• Calculated formula: C14 H16 Cl Cu N8 O4
• SMILES: c1ccn2Cn3ccc[n]3[Cu]3([n]12)[n]1cccn1Cn1ccc[n]31.[O-]Cl(=O)(=O)=O
• Title of publication: First Example of a 2:1 Cocrystal of Mixed Cu(I)/Cu(II) Complexes and a Novel Ferromagnetic Bis(μ-hydroxo)dicopper(II) Complex with a Bis(pyrazol-1-yl)methane Bidentate Ligand
• Authors of publication: Chang-Chuan Chou; Chan-Cheng Su; Hui-Lien Tsai; Kwang-Hwa Lii
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 628 - 632
• a: 8.5825 ± 0.0007 Å
• b: 19.8344 ± 0.0017 Å
• c: 11.848 ± 0.001 Å
• α: 90°
• β: 98.583 ± 0.002°
• γ: 90°
• Cell volume: 1994.3 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1173
• Residual factor for significantly intense reflections: 0.0902
• Weighted residual factors for significantly intense reflections: 0.2469
• Weighted residual factors for all reflections included in the refinement: 0.267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No