Information card for entry 7130699

Structure parameters

• Formula: C99.67 H114.67 Cl4 Fe2 N18 O27.67
• Calculated formula: C98.6667 H94.6668 Cl4 Fe2 N18 O26.6667
• 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: 23.217 ± 0.005 Å
• b: 17.634 ± 0.003 Å
• c: 27.292 ± 0.005 Å
• α: 90°
• β: 95.498 ± 0.003°
• γ: 90°
• Cell volume: 11122 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1389
• Residual factor for significantly intense reflections: 0.1285
• Weighted residual factors for significantly intense reflections: 0.4025
• Weighted residual factors for all reflections included in the refinement: 0.4114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.72932 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No