Information card for entry 7109676

Structure parameters

• Formula: C90 H62 Cl4 Fe2 N14 O20 S4
• Calculated formula: C90 H62 Cl4 Fe2 N14 O20 S4
• Title of publication: Steric control of the formation of dinuclear double helicate and dinuclear meso-helicate assemblies
• Authors of publication: David J. Cooke; Jasmine M. Cross; Rebecca V. Fennessy; Lindsay P. Harding; Craig R. Rice; Christopher Slater
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 7785
• a: 45.5093 ± 0.0011 Å
• b: 22.2219 ± 0.0005 Å
• c: 17.1211 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17314.6 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No