Information card for entry 7031899

Structure parameters

• Formula: C24 H18 Cl2 Fe N6 S2
• Calculated formula: C24 H18 Cl2 Fe N6 S2
• Title of publication: Synthesis and characterisation of first row transition metal complexes of functionalized 1,2,4-benzothiadiazines.
• Authors of publication: Clark, Ewan R.; Anwar, Muhammad U.; Leontowicz, Bryce J.; Beldjoudi, Yassine; Hayward, John J.; Chan, Wesley T. K.; Gavey, Emma L.; Pilkington, Melanie; Zysman-Colman, Eli; Rawson, Jeremy M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 34
• Pages of publication: 12996
• a: 13.3122 ± 0.0016 Å
• b: 9.8775 ± 0.0012 Å
• c: 18.354 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2413.4 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7031607
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No