Information card for entry 4329919

Structure parameters

• Formula: C143 H119 Cl9 Fe6 N2 O36
• Calculated formula: C142.45 H118.45 Cl7.35 Fe6 N2 O36
• 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: 16.209 ± 0.002 Å
• b: 21.766 ± 0.002 Å
• c: 22.642 ± 0.002 Å
• α: 109.537 ± 0.004°
• β: 102.182 ± 0.004°
• γ: 100.76 ± 0.004°
• Cell volume: 7066 ± 1.3 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: 0.1865
• Residual factor for significantly intense reflections: 0.1333
• Weighted residual factors for significantly intense reflections: 0.3416
• Weighted residual factors for all reflections included in the refinement: 0.3747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No