Information card for entry 7104235

Structure parameters

• Formula: C16 H15 Ca F3 N2 O7 S
• Calculated formula: C16 H15 Ca F3 N2 O7 S
• Title of publication: Self-assembly of heterodinuclear triple-stranded helicates: control by coordination number and charge.
• Authors of publication: Albrecht, Markus; Liu, Yufeng; Zhu, Sascha S; Schalley, Christoph A; Fröhlich, Roland
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 10
• Pages of publication: 1195 - 1197
• a: 10.6605 ± 0.0002 Å
• b: 15.0299 ± 0.0003 Å
• c: 12.9695 ± 0.0004 Å
• α: 90°
• β: 105.361 ± 0.001°
• γ: 90°
• Cell volume: 2003.82 ± 0.08 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0914
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No