Information card for entry 2018462

Structure parameters

• Chemical name: bis(μ-5-chloro-2-oxidobenzoato)- κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^; κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^2^- bis[(5-chloro-2-hydroxybenzoic acid-κ<i>O</i>^1^)(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] ethanol monosolvate
• Formula: C54 H38 Cl4 Cu2 N4 O13
• Calculated formula: C54 H38 Cl4 Cu2 N4 O13
• Title of publication: Two centrosymmetric dinuclear phenanthroline‒copper(II) complexes with 3,5-dichloro-2-hydroxybenzoic acid and 5-chloro-2-hydroxybenzoic acid
• Authors of publication: Moncol, Ján; Jomová, Klaudia; Porubská, Mária
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m85 - m89
• a: 7.9153 ± 0.0002 Å
• b: 11.1877 ± 0.0003 Å
• c: 15.0623 ± 0.0003 Å
• α: 72.456 ± 0.002°
• β: 77.056 ± 0.002°
• γ: 83.897 ± 0.002°
• Cell volume: 1238.39 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes