Information card for entry 4310711

Structure parameters

• Formula: C17 H19 Cl Fe N8 O6
• Calculated formula: C17 H19 Cl Fe N8 O6
• Title of publication: Iron(II) Carboxylate Complexes Based on a Tetraimidazole Ligand as Models of the Photosynthetic Non-Heme Ferrous Sites: Synthesis, Crystal Structure, and Mössbauer and Magnetic Studies
• Authors of publication: Gilles Lemercier; Etienne Mulliez; Chantal Brouca-Cabarrecq; Françoise Dahan; Jean-Pierre Tuchagues
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2105 - 2113
• a: 17.117 ± 0.002 Å
• b: 10.3358 ± 0.0012 Å
• c: 25.658 ± 0.003 Å
• α: 90°
• β: 90.301 ± 0.013°
• γ: 90°
• Cell volume: 4539.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No