Information card for entry 7711098

Structure parameters

• Formula: C78 H72 Cd4 F18 N32 O18 S6
• Calculated formula: C78 H72 Cd4 F18 N32 O18 S6
• Title of publication: Modulation of the structural information in shape-defined heterocyclic strands: the case of a (pyridine-hydrazone)2pyrazine ligand
• Authors of publication: Thangavel, Muthu Kumar; Harrowfield, Jack; Bailly, Corinne; Karmazin, Lydia; Stadler, Adrian-Mihail
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 19.2681 ± 0.0009 Å
• b: 24.4819 ± 0.0012 Å
• c: 26.1478 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12334.4 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.1479
• Residual factor for significantly intense reflections: 0.0938
• Weighted residual factors for significantly intense reflections: 0.2404
• Weighted residual factors for all reflections included in the refinement: 0.2882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No