Information card for entry 4113236

Structure parameters

• Common name: (1+An)(OTf)4
• Formula: C114 H82 Au4 F12 N4 O12 P4 S4
• Calculated formula: C114 H82 Au4 F12 N4 O12 P4 S4
• SMILES: c1cc2cc[n]1[Au][P](c1c3ccccc3c([P]([Au][n]3ccc(c4cc[n](cc4)[Au][P](c4c5ccccc5c([P]([Au][n]5ccc2cc5)(c2ccccc2)c2ccccc2)c2c4cccc2)(c2ccccc2)c2ccccc2)cc3)(c2ccccc2)c2ccccc2)c2c1cccc2)(c1ccccc1)c1ccccc1.FC(F)(S(=O)(=O)[O-])F.c12ccccc1cc1ccccc1c2.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-]
• Title of publication: Self-Assembly and Molecular Recognition of a Luminescent Gold Rectangle
• Authors of publication: Ronger Lin; John H. K. Yip; Ke Zhang; Lip Lin Koh; Kwok-Yin Wong; Kam Piu Ho
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 15852 - 15869
• 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