Information card for entry 7102517

Structure parameters

• Formula: C94 H108 Cl2 Co2 N20 O36 S6
• Calculated formula: C94 H104 Cl2 Co2 N20 O36 S6
• Title of publication: Anion control of ligand self-recognition in a triple helical array.
• Authors of publication: Harding, Lindsay P; Jeffery, John C; Riis-Johannessen, T; Rice, Craig R; Zeng, Zuotao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 6
• Pages of publication: 654 - 655
• a: 12.368 ± 0.005 Å
• b: 12.739 ± 0.006 Å
• c: 19.836 ± 0.008 Å
• α: 92.953 ± 0.014°
• β: 93.284 ± 0.013°
• γ: 118.52 ± 0.015°
• Cell volume: 2730 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1574
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 0.846
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No