Information card for entry 7024105

Structure parameters

• Formula: C18 H29 Fe N8 O9.5 S2.5
• Calculated formula: C18 H26 Fe N8 O9.5 S2.5
• 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: 27.416 ± 0.002 Å
• b: 12.2927 ± 0.0008 Å
• c: 17.23 ± 0.001 Å
• α: 90°
• β: 106.167 ± 0.001°
• γ: 90°
• Cell volume: 5577.2 ± 0.6 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1018
• Residual factor for significantly intense reflections: 0.0906
• Weighted residual factors for significantly intense reflections: 0.2021
• Weighted residual factors for all reflections included in the refinement: 0.2062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.294
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No