Information card for entry 4350097

Structure parameters

• Formula: C28 H22 Cu2 Fe N5 O17
• Calculated formula: C28 H22 Cu2 Fe N5 O17
• SMILES: c1cccc2c3cccc[n]3[Cu]3([n]12)[O]=C1C(O3)=[O][Cu]2([n]3c(c4cccc[n]24)cccc3)O1.[NH4+].O.C1(=O)C(=O)O[Fe]23(O1)(OC(=O)C(=O)O2)OC(=O)C(=O)O3
• Title of publication: Dimensionality controlled by light exposure: 1D versus 3D oxalate-bridged [CuFe] coordination polymers based on an [Fe(C2O4)3]3− metallotecton
• Authors of publication: Kanižaj, Lidija; Androš Dubraja, Lidija; Torić, Filip; Pajić, Damir; Molčanov, Krešimir; Wenger, Emmanuel; Jurić, Marijana
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 11
• Pages of publication: 3327
• a: 7.881 ± 0.005 Å
• b: 9.879 ± 0.005 Å
• c: 21.399 ± 0.005 Å
• α: 80.536 ± 0.005°
• β: 88.69 ± 0.005°
• γ: 81.763 ± 0.005°
• Cell volume: 1626.4 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0771
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1845
• Weighted residual factors for all reflections included in the refinement: 0.1997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No