Information card for entry 7237241

Structure parameters

• Formula: C30 H40 Cl6 Fe2 N4 O16 S4
• Calculated formula: C30 H40 Cl6 Fe2 N4 O16 S4
• Title of publication: An FeIII dinuclear metallacycle complex as a size-selective adsorbent for nitrogenous compounds and a potentially effective ammonia storage material
• Authors of publication: Silva, Ingrid F.; Teixeira, Ivo F.; Barros, Wdeson P.; Pinheiro, Carlos B.; Ardisson, José D.; do Nascimento, Gustavo M.; Pradie, Noriberto A.; Teixeira, Ana Paula C.; Stumpf, Humberto O.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 25
• Pages of publication: 15225
• a: 10.399 ± 0.0003 Å
• b: 10.4057 ± 0.0003 Å
• c: 12.8116 ± 0.0004 Å
• α: 113.668 ± 0.003°
• β: 97.457 ± 0.002°
• γ: 105.922 ± 0.003°
• Cell volume: 1174.84 ± 0.08 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0362
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0417
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No