Information card for entry 7158030

Structure parameters

• Formula: C120 H134 Fe2 N24 O24
• Calculated formula: C120 H134 Fe2 N24 O24
• Title of publication: Water binding stabilizes stacked conformations of ferrocene containing sheet-like aromatic oligoamides.
• Authors of publication: Liu, Ya-Zhou; Mu, Xiao; Chan, Cheih-Kai; Robeyns, Koen; Wang, Cheng-Chung; Singleton, Michael L.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 25
• Pages of publication: 5521 - 5524
• a: 14.0152 ± 0.0003 Å
• b: 32.06 ± 0.0007 Å
• c: 27.4484 ± 0.0005 Å
• α: 90°
• β: 101.878 ± 0.0018°
• γ: 90°
• Cell volume: 12069.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1062
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No