Information card for entry 7713955

Structure parameters

• Formula: C116 H99 B4 F16 Fe2 N31 O12
• Calculated formula: C114 H96 B3 F12 Fe2 N30 O12
• Title of publication: Remote stereocentres do not disrupt the stereochemical coupling in homochiral [M2L3] helicates and [M4L6] tetrahedra
• Authors of publication: Siddique, Rashid G.; Whittaker, Jacob J.; AL-Fayaad, Hydar; McMurtrie, John C.; Clegg, Jack Kay
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 26.3794 ± 0.0006 Å
• b: 14.7997 ± 0.0002 Å
• c: 30.8356 ± 0.0005 Å
• α: 90°
• β: 91.093 ± 0.002°
• γ: 90°
• Cell volume: 12036.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.109
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.202
• Weighted residual factors for all reflections included in the refinement: 0.2213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No