Information card for entry 7046462

Structure parameters

• Formula: C72.5 H66.5 B4 Cl2 F16 Fe2 N24 O
• Calculated formula: C72.5 H66.5 B4 Cl2 F16 Fe2 N24 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: 14.1516 ± 0.0009 Å
• b: 16.1395 ± 0.0008 Å
• c: 24.9544 ± 0.0011 Å
• α: 73.358 ± 0.004°
• β: 76.332 ± 0.005°
• γ: 73.466 ± 0.005°
• Cell volume: 5160.2 ± 0.5 ų
• Cell temperature: 240.43 ± 0.1 K
• Ambient diffraction temperature: 240.43 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1987
• Residual factor for significantly intense reflections: 0.1484
• Weighted residual factors for significantly intense reflections: 0.3795
• Weighted residual factors for all reflections included in the refinement: 0.4516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No