Information card for entry 7018183

Structure parameters

• Formula: C85.3 H109.18 F K Mn4 O29.3 S8
• Calculated formula: C85.296 H109.184 F K Mn4 O29.296 S8
• Title of publication: Tetranuclear manganese(ii) complexes of sulfonylcalix[4]arene macrocycles: synthesis, structure, spectroscopic and magnetic properties.
• Authors of publication: Lamouchi, Meriem; Jeanneau, Erwann; Pillonnet, Anne; Brioude, Arnaud; Martini, Matteo; Stéphan, Olivier; Meganem, Faouzi; Novitchi, Ghenadie; Luneau, Dominique; Desroches, Cédric
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 9
• Pages of publication: 2707 - 2713
• a: 12.1491 ± 0.0006 Å
• b: 12.9634 ± 0.0007 Å
• c: 17.3393 ± 0.0009 Å
• α: 72.172 ± 0.005°
• β: 81.666 ± 0.004°
• γ: 64.773 ± 0.005°
• Cell volume: 2351.4 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections: 0.1617
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0042
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No