Information card for entry 7700501

Structure parameters

• Formula: C56 H84 B4 F10 Fe2 N8 O18
• Calculated formula: C56 H84 B4 F10 Fe2 N8 O18
• Title of publication: New salicylaldoximato-borate ligands resulting from anion hydrolysis and their respective copper and iron complexes.
• Authors of publication: Woodhouse, Sidney S.; De Silva, D Nirosha T; Jameson, Geoffrey B.; Cutler, Daniel J.; Sanz, Sergio; Brechin, Euan K.; Davies, Casey G.; Jameson, Guy N. L.; Plieger, Paul G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 31
• Pages of publication: 11872 - 11881
• a: 10.292 ± 0.005 Å
• b: 12.325 ± 0.003 Å
• c: 15.431 ± 0.005 Å
• α: 73.437 ± 0.005°
• β: 71.084 ± 0.003°
• γ: 67.319 ± 0.005°
• Cell volume: 1679.5 ± 1.1 ų
• Cell temperature: 152 K
• Ambient diffraction temperature: 152 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: 0.055
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No