Information card for entry 7024347

Structure parameters

• Formula: C62 H62 F6 Fe4 N24 O8 S6
• Calculated formula: C62 H56 F6 Fe4 N24 O8 S6
• 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: 29.487 ± 0.009 Å
• b: 18.419 ± 0.005 Å
• c: 14.466 ± 0.005 Å
• α: 90°
• β: 109.027 ± 0.005°
• γ: 90°
• Cell volume: 7428 ± 4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1081
• Residual factor for significantly intense reflections: 0.105
• Weighted residual factors for significantly intense reflections: 0.2767
• Weighted residual factors for all reflections included in the refinement: 0.2798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No