Information card for entry 7046461

Structure parameters

• Formula: C75 H70 B4 Cl3 F16 Fe2 N25 O0.5
• Calculated formula: C75 H70 B4 Cl3 F16 Fe2 N25 O0.5
• 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: 13.9106 ± 0.0005 Å
• b: 15.9337 ± 0.0006 Å
• c: 24.8612 ± 0.0009 Å
• α: 73.547 ± 0.003°
• β: 75.732 ± 0.003°
• γ: 73.498 ± 0.003°
• Cell volume: 4983.8 ± 0.3 ų
• Cell temperature: 279.17 ± 0.1 K
• Ambient diffraction temperature: 279.17 ± 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: 0.1043
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.2333
• Weighted residual factors for all reflections included in the refinement: 0.2546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No