Information card for entry 7715346

Structure parameters

• Formula: C20 H25 Cl2 Fe N19 O10
• Calculated formula: C20 H25 Cl2 Fe N19 O10
• Title of publication: Trapping an unprecedented octacoordinated iron(II) complex with neutral bis-tetrazolylpyridyl ligands and solvent molecules.
• Authors of publication: Rigamonti, Luca; Marchi, Lorenzo; Fiorini, Valentina; Stagni, Stefano; Zacchini, Stefano; Pinkowicz, Dawid; Dziedzic-Kocurek, Katarzyna; Forni, Alessandra; Muniz Miranda, Francesco; Mazzoni, Rita
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 3490 - 3498
• a: 21.6089 ± 0.0006 Å
• b: 10.0066 ± 0.0003 Å
• c: 15.0212 ± 0.0004 Å
• α: 90°
• β: 96.462 ± 0.001°
• γ: 90°
• Cell volume: 3227.42 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0445
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No