Information card for entry 7110071

Structure parameters

• Formula: C98 H92 Cd2 Cl10 N13 O30 S4
• Calculated formula: C98 H78 Cd2 Cl10 N13 O30 S4
• Title of publication: Self-assembly of a heteroleptic one-dimensional chain comprising different dinuclear meso-helicates in the solid-state
• Authors of publication: Jasmine M. Cross; Rebecca V. Fennessy; Lindsay P. Harding; Craig R. Rice; Michaele J. Hardie; Christopher Slater
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 11290
• a: 13.3018 ± 0.0003 Å
• b: 20.7598 ± 0.0004 Å
• c: 44.2313 ± 0.0009 Å
• α: 90°
• β: 91.264 ± 0.001°
• γ: 90°
• Cell volume: 12211.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.1708
• Residual factor for significantly intense reflections: 0.1218
• Weighted residual factors for significantly intense reflections: 0.3489
• Weighted residual factors for all reflections included in the refinement: 0.4018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.516
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No