Information card for entry 7024108

Structure parameters

• Formula: C43 H55 Fe N8 O14 S5
• Calculated formula: C43 H55 Fe N8 O14 S5
• Title of publication: Tuning of the charge in octahedral ferric complexes based on pyridoxal-N-substituted thiosemicarbazone ligands.
• Authors of publication: Tido, Eddy W Yemeli; Faulmann, Christophe; Roswanda, Robby; Meetsma, Auke; van Koningsbruggen, Petra J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 6
• Pages of publication: 1643 - 1651
• a: 12.7197 ± 0.0004 Å
• b: 14.0994 ± 0.0004 Å
• c: 15.8183 ± 0.0004 Å
• α: 95.123 ± 0.001°
• β: 113.292 ± 0.001°
• γ: 92.967 ± 0.001°
• Cell volume: 2583.47 ± 0.13 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: 0.0933
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1623
• Weighted residual factors for all reflections included in the refinement: 0.2037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No