Information card for entry 7225649

Structure parameters

• Formula: C8 H3 Cl2 Cu N O4
• Calculated formula: C8 H3 Cl2 Cu N O4
• Title of publication: From mononuclear to linear one-dimensional coordination species of copper(II)-chloranilate: design and characterization
• Authors of publication: Juric, Marijana; Molcanov, Kresimir; Zilic, Dijana; Kojic-Prodic, Biserka
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.5779 ± 0.0003 Å
• b: 8.2261 ± 0.0004 Å
• c: 16.7585 ± 0.0008 Å
• α: 90°
• β: 94.337 ± 0.004°
• γ: 90°
• Cell volume: 1041.68 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 significantly intense reflections: 0.0444
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No