Information card for entry 4133032

Structure parameters

• Formula: C22 H9 Cl3 Fe2 N9 O12
• Calculated formula: C22 H9 Cl3 Fe2 N9 O12
• Title of publication: Conducting Anilate-Based Mixed-Valence Fe(II)Fe(III) Coordination Polymer: Small-Polaron Hopping Model for Oxalate-Type Fe(II)Fe(III) 2D Networks.
• Authors of publication: Sahadevan, Suchithra Ashoka; Abhervé, Alexandre; Monni, Noemi; Sáenz de Pipaón, Cristina; Galán-Mascarós, José Ramón; Waerenborgh, João C; Vieira, Bruno J. C.; Auban-Senzier, Pascale; Pillet, Sébastien; Bendeif, El-Eulmi; Alemany, Pere; Canadell, Enric; Mercuri, Maria Laura; Avarvari, Narcis
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 39
• Pages of publication: 12611 - 12621
• a: 13.5493 ± 0.0016 Å
• b: 13.5493 ± 0.0016 Å
• c: 9.484 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1507.8 ± 0.5 ų
• Cell temperature: 10 ± 2 K
• Ambient diffraction temperature: 10 ± 2 K
• Number of distinct elements: 6
• Space group number: 143
• Hermann-Mauguin space group symbol: P 3
• Hall space group symbol: P 3
• Residual factor for all reflections: 0.152
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1912
• Weighted residual factors for all reflections included in the refinement: 0.2391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No