Information card for entry 7024348

Structure parameters

• Formula: C62 H69.6 Co4 F6 N24 O11.8 S6
• Calculated formula: C62 H56 Co4 F6 N24 O11.8 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: 11.95 ± 0.003 Å
• b: 27.769 ± 0.006 Å
• c: 13.903 ± 0.003 Å
• α: 90°
• β: 103.404 ± 0.005°
• γ: 90°
• Cell volume: 4487.9 ± 1.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1368
• Residual factor for significantly intense reflections: 0.1125
• Weighted residual factors for significantly intense reflections: 0.3015
• Weighted residual factors for all reflections included in the refinement: 0.3221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No