Information card for entry 7024346

Structure parameters

• Formula: C66 H64 F12 Fe4 N24 O18 S4
• Calculated formula: C66 H62 F12 Fe4 N24 O18 S4
• Title of publication: Formation of unusual molecular rectangles and squares containing low spin and high spin Co(ii) and Fe(ii) centers
• Authors of publication: Shuvaev, Konstantin V.; Dawe, Louise N.; Thompson, Laurence K.
• Journal of publication: Dalton Transactions
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 20
• Pages of publication: 4768
• a: 13.767 ± 0.002 Å
• b: 14.043 ± 0.003 Å
• c: 21.488 ± 0.004 Å
• α: 89.44 ± 0.007°
• β: 80.884 ± 0.005°
• γ: 89.425 ± 0.007°
• Cell volume: 4101.5 ± 1.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.131
• Residual factor for significantly intense reflections: 0.1177
• Weighted residual factors for significantly intense reflections: 0.3177
• Weighted residual factors for all reflections included in the refinement: 0.3323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No