Information card for entry 7031904

Structure parameters

• Formula: C38 H27 F6 Fe N9 O6 S5
• Calculated formula: C38 H27 F6 Fe N9 O6 S5
• 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: 12.236 ± 0.004 Å
• b: 14.022 ± 0.004 Å
• c: 15.179 ± 0.005 Å
• α: 88.805 ± 0.003°
• β: 79.225 ± 0.003°
• γ: 73.71 ± 0.003°
• Cell volume: 2454.3 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0794
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1754
• Weighted residual factors for all reflections included in the refinement: 0.1856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7031612
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No