Information card for entry 7046460

Structure parameters

• Formula: C89 H79 B4 Cl3 F16 Fe2 N20 O
• Calculated formula: C89 H79 B4 Cl3 F16 Fe2 N20 O
• Title of publication: Varied spin crossover behaviour in a family of dinuclear Fe(ii) triple helicate complexes.
• Authors of publication: Archer, Rosanna J.; Scott, Hayley S.; Polson, Matthew I. J.; Williamson, Bryce E.; Mathonière, Corine; Rouzières, Mathieu; Clérac, Rodolphe; Kruger, Paul E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 24
• Pages of publication: 7965 - 7974
• a: 27.8736 ± 0.0008 Å
• b: 28.1738 ± 0.0006 Å
• c: 14.1358 ± 0.0003 Å
• α: 90°
• β: 114.96 ± 0.002°
• γ: 90°
• Cell volume: 10064.1 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• 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: 0.0963
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.2326
• Weighted residual factors for all reflections included in the refinement: 0.2501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No