Information card for entry 2018461

Structure parameters

• Chemical name: bis(μ-3,5-dichloro-2-oxidobenzoato)- κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^2^; κ^3^<i>O</i>^2^:<i>O</i>^1^,<i>O</i>^2^- bis[(3,5-dichloro-2-hydroxybenzoic acid-κ<i>O</i>^1^)(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]
• Formula: C52 H28 Cl8 Cu2 N4 O12
• Calculated formula: C52 H28 Cl8 Cu2 N4 O12
• 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: 9.2295 ± 0.0002 Å
• b: 11.6047 ± 0.0003 Å
• c: 12.9863 ± 0.0003 Å
• α: 102.423 ± 0.002°
• β: 99.045 ± 0.002°
• γ: 106.753 ± 0.002°
• Cell volume: 1264.44 ± 0.06 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: 0.0725
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No