Information card for entry 7130696

Structure parameters

• Formula: C83 H70 F18 Fe2 N18 O2 P2 Si
• Calculated formula: C82 H66 F18 Fe2 N18 O P2 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: 17.2482 ± 0.0008 Å
• b: 26.1224 ± 0.0012 Å
• c: 18.8989 ± 0.0009 Å
• α: 90°
• β: 105.11 ± 0.002°
• γ: 90°
• Cell volume: 8220.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.2064
• Weighted residual factors for all reflections included in the refinement: 0.219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No