Information card for entry 4327032

Structure parameters

• Formula: C16 H27 Cl3 Fe2 N9 O7
• Calculated formula: C16 H27 Cl3 Fe2 N9 O7
• SMILES: [Fe]1234(Cl)(Cl)[O]5[Fe]67(Cl)([O]1C(=N[N]3=C(N)c1[n]4c(C(=[N]2N=C5C(=[N]6O)C)N)ccc1)C(=[N]7O)C)([OH]C)[OH]C.OC
• Title of publication: Polynuclear Fen Complexes (n= 1, 2, 4, 5) of Polytopic Hydrazone Ligands with Fe(II), Fe(III) and Mixed Oxidation State Combinations
• Authors of publication: Muhammad U. Anwar; Konstantin V. Shuvaev; Louise N. Dawe; Laurence K. Thompson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12141 - 12154
• a: 15.649 ± 0.003 Å
• b: 12.014 ± 0.002 Å
• c: 13.89 ± 0.003 Å
• α: 90°
• β: 89.96 ± 0.003°
• γ: 90°
• Cell volume: 2611.4 ± 0.9 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• 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: 0.0418
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No