Information card for entry 4301802

Structure parameters

• Formula: C35 H36 Cl Fe N9
• Calculated formula: C35 H36 Cl Fe N9
• Title of publication: Zn and Fe Complexes Containing a Redox Active Macrocyclic Biquinazoline Ligand
• Authors of publication: Priyabrata Banerjee; Anna Company; Thomas Weyhermüller; Eckhard Bill; Corinna R. Hess
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2944 - 2955
• a: 13.1116 ± 0.0004 Å
• b: 13.3005 ± 0.0004 Å
• c: 19.4841 ± 0.0007 Å
• α: 90°
• β: 105.142 ± 0.003°
• γ: 90°
• Cell volume: 3279.88 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No