Information card for entry 2206431

Structure parameters

• Common name: Fe^III^(Salpn)(μ~2~-Salpn)Fe^III^(Salpn)
• Chemical name: μ~2~-bis(salicylidene)propane-1,3-diaminato-bis{[bis(salicylidene)propane- 1,3-diaminato]iron(III)}
• Formula: C51 H48 Fe2 N6 O6
• Calculated formula: C51 H48 Fe2 N6 O6
• SMILES: c12ccccc1C=[N]1CCC[N]3=Cc4ccccc4O[Fe]413([N](=Cc1c(O4)cccc1)CCC[N]1=Cc3c(O[Fe]4561[N](=Cc1c(cccc1)O5)CCC[N]4=Cc1ccccc1O6)cccc3)O2
• Title of publication: Porous solvent-free μ~2~-bis(salicylidene)propane-1,3-diaminato-bis{[bis(salicylidene)propane-1,3-diaminato]iron(III)}
• Authors of publication: Bakir, Mohammed; Dasgupta, Tara P.; Dutta, Sujit K.; Ngah, Nurziana; Yamin, Bohari M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1464 - m1466
• a: 24.463 ± 0.004 Å
• b: 14.818 ± 0.002 Å
• c: 15.911 ± 0.003 Å
• α: 90°
• β: 121.138 ± 0.002°
• γ: 90°
• Cell volume: 4936.6 ± 1.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.0572
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes