Information card for entry 7225651

Structure parameters

• Formula: C12 H8 Cl2 Cu N4 O4
• Calculated formula: C12 H8 Cl2 Cu N4 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: 25.3992 ± 0.0008 Å
• b: 8.1066 ± 0.0002 Å
• c: 14.2791 ± 0.0004 Å
• α: 90°
• β: 96.491 ± 0.003°
• γ: 90°
• Cell volume: 2921.24 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0438
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54179 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No