Information card for entry 4349838

Structure parameters

• Formula: C62 H60 Cl2 Fe2 N8 O14 S2
• Calculated formula: C62 H60 Cl2 Fe2 N8 O14 S2
• Title of publication: Towards oxalate-bridged iron(ii), cobalt(ii), nickel(ii) and zinc(ii) complexes through oxotris(oxalato)niobate(v): an open air non-oxidizing synthetic route
• Authors of publication: Oliveira, Willian X. C.; Pereira, Cynthia L. M.; Pinheiro, Carlos B.; Lloret, Francesc; Julve, Miguel
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 6
• Pages of publication: 1294
• a: 10.2821 ± 0.0009 Å
• b: 12.1907 ± 0.0015 Å
• c: 13.1148 ± 0.0012 Å
• α: 82.243 ± 0.009°
• β: 84.962 ± 0.007°
• γ: 72.071 ± 0.009°
• Cell volume: 1547.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1057
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1598
• Weighted residual factors for all reflections included in the refinement: 0.1906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No