Information card for entry 7102638

Structure parameters

• Formula: C59.23 H74.45 Cl2.45 N7 O14 Re
• Calculated formula: C59.225 H75.1956 Cl2.45 N7 O14 Re
• Title of publication: Halide anion directed assembly of luminescent pseudorotaxanes.
• Authors of publication: Curiel, David; Beer, Paul D; Paul, Rowena L; Cowley, Andrew; Sambrook, Mark R; Szemes, Fridrich
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 10
• Pages of publication: 1162 - 1163
• a: 13.6751 ± 0.0002 Å
• b: 22.3512 ± 0.0002 Å
• c: 22.6383 ± 0.0003 Å
• α: 90°
• β: 106 ± 0.0005°
• γ: 90°
• Cell volume: 6651.47 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.1
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No