Information card for entry 4350667

Structure parameters

• Formula: C103 H115 Cl13 Fe6 N46 O57
• Calculated formula: C95 H70 Cl5 Fe6 N45 O10
• SMILES: [Fe]12345OC(=N[N]2=C(N)c2[n]3cccc2)c2nc(cc(Cl)c2)C2O[Fe]367([O]8[Fe]9%10%11%12[O]%13[Fe]%14%15%16(OC(=N[N]%16=C(N)c%16[n]%15cccc%16)c%15nc(C%16=N[N]%17[Fe]%18%19(O%16)([O]%16[Fe]%20%21%22(OC(=N[N]%20=C(N)c%20[n]%21cccc%20)c%20nc(cc(Cl)c%20)C(=N[N]%12=C(N)c%12[n]%11cccc%12)O9)[O]1C(=N[N]5=C(N)c1[n]4cccc1)c1[n]%22c(C%16=N[N]%18=C(N)c4[n]%19cccc4)cc(Cl)c1)[n]1c(C=%17N)cccc1)cc(Cl)c%15)[N](N=C%13c1[n]%10c(C8=N[N]7=C(N)c4[n]6cccc4)cc(Cl)c1)=C(N)c1[n]%14cccc1)[N](N=2)=C(N)c1[n]3cccc1
• Title of publication: Oligonuclear Fe complexes (Fe, Fe4, Fe6, Fe9) derived from tritopic pyridine bis-hydrazone ligands-structural, magnetic, and Mössbauer studies.
• Authors of publication: Anwar, Muhammad U.; Dawe, Louise N.; Parsons, Stewart R.; Tandon, Santokh S.; Thompson, Laurence K.; Dey, Subrata K.; Mereacre, Valeriu; Reiff, William M.; Bunge, Scott D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 4655 - 4668
• a: 16.265 ± 0.0014 Å
• b: 22.783 ± 0.002 Å
• c: 24.766 ± 0.002 Å
• α: 71.147 ± 0.002°
• β: 76.986 ± 0.002°
• γ: 87.887 ± 0.002°
• Cell volume: 8455.6 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 0.53
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No