Information card for entry 7130701

Structure parameters

• Formula: C95 H96 B2 F14 Fe2 N22 O5 Si
• Calculated formula: C88 H78 B2 F14 Fe2 N20 O2 Si
• Title of publication: The template effect of a SiF₆^2- guest drives the formation of a heteroleptic Fe(II) coordination helicate.
• Authors of publication: Capó, Nuria; Barrios, Leoní A; Cardona, Joan; Ribas-Ariño, Jordi; Teat, Simon J.; Roubeau, Olivier; Aromí, Guillem
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 78
• Pages of publication: 10969 - 10972
• a: 30.215 ± 0.004 Å
• b: 30.215 ± 0.004 Å
• c: 21.126 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19287 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.2312
• Weighted residual factors for all reflections included in the refinement: 0.2422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.72932 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No