Information card for entry 4329920

Structure parameters

• Formula: C280 H216 Cl24 Fe14 N6 O82
• Calculated formula: C280 H208 Cl24 Fe14 N6 O82
• Title of publication: Molecular [(Fe3)-(Fe3)] and [(Fe4)-(Fe4)] Coordination Cluster Pairs as Single or Composite Arrays
• Authors of publication: E. Carolina Sañudo; Jorge Salinas Uber; Alba Pons Balagué; Olivier Roubeau; Guillem Aromí
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 8441 - 8446
• a: 20.151 ± 0.002 Å
• b: 20.915 ± 0.002 Å
• c: 22.034 ± 0.003 Å
• α: 117.522 ± 0.001°
• β: 93.717 ± 0.002°
• γ: 91.867 ± 0.002°
• Cell volume: 8197.6 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1194
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.2221
• Weighted residual factors for all reflections included in the refinement: 0.2591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7848 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No