Information card for entry 1548498

Structure parameters

• Formula: C114 H82 Au4 F12 N4 O12 P4 S4
• Calculated formula: C114 H82 Au4 F12 N4 O12 P4 S4
• SMILES: [Au]1[P](c2c3ccccc3c([P]([Au][n]3ccc(c4cc[n]([Au][P](c5c6ccccc6c([P]([Au][n]6ccc(c7cc[n]1cc7)cc6)(c1ccccc1)c1ccccc1)c1c5cccc1)(c1ccccc1)c1ccccc1)cc4)cc3)(c1ccccc1)c1ccccc1)c1c2cccc1)(c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.c12ccccc1cc1ccccc1c2
• Title of publication: Gold rectangle, silver rings and helices - A study of self-assembly and molecular recognition of metallo-supramolecules
• Authors of publication: Lin Rong Er
• Journal of publication: Ph.D Thesis - NATIONAL UNIVERSITY OF SINGAPORE
• Year of publication: 2005
• Pages of publication: 1
• a: 28.309 ± 0.0013 Å
• b: 24.2881 ± 0.0011 Å
• c: 10.6225 ± 0.0005 Å
• α: 90°
• β: 95.253 ± 0.001°
• γ: 90°
• Cell volume: 7273.1 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 8
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.2158
• Weighted residual factors for all reflections included in the refinement: 0.2375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No