Information card for entry 4327023

Structure parameters

• Formula: C59 H84 Cl6 Fe4 N20 O15
• Calculated formula: C48 H40 Cl6 Fe4 N20 O4
• SMILES: [Fe]123(Cl)(Cl)[O]4[Fe]567([O]8[Fe]9(Cl)(Cl)([O]%10[Fe]%11%12%13([O]1C(=N[N]%12=C(N)c1[n]%13cccc1)c1[n]3cccc1)[N](N=C%10c1[n]9cccc1)=C(N)c1[n]%11cccc1)[n]1ccccc1C8=N[N]6=C(N)c1[n]7cccc1)[N](N=C4c1[n]2cccc1)=C(N)c1[n]5cccc1.[Cl-].[Cl-]
• 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: 15.692 ± 0.005 Å
• b: 29.941 ± 0.008 Å
• c: 21.67 ± 0.007 Å
• α: 90°
• β: 130.817 ± 0.004°
• γ: 90°
• Cell volume: 7705 ± 4 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: 0.0978
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.2632
• Weighted residual factors for all reflections included in the refinement: 0.2818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No