Information card for entry 7110070

Structure parameters

• Formula: C94.86 H75.57 Cd2 Cl13 F0 N14.86 O22.71 S4
• Calculated formula: C94.857 H75.571 Cd2 Cl13 N14.857 O22.714 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: 13.8209 ± 0.0007 Å
• b: 18.3351 ± 0.0009 Å
• c: 21.5994 ± 0.001 Å
• α: 95.008 ± 0.001°
• β: 92.173 ± 0.001°
• γ: 107.485 ± 0.001°
• Cell volume: 5188.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No