Information card for entry 7114992

Structure parameters

• Formula: C60 H54 N4 O12 W
• Calculated formula: C60 H54 N4 O12 W
• Title of publication: Hydrogen bonds between polyphenol (p-HOC6H4O)6W and bipyridines: (4,4′-bipy·HOC6H4O)6W and 3-D networks [{4,4′-(NC5H4)2(CH2CH2)}n{(HOC6H4O)6W}]∞(n = 2, 3)
• Authors of publication: Vaid, Thomas P.; Sydora, Orson L.; Douthwaite, Richard E.; Wolczanski, Peter T.; Lobkovsky, Emil B.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 14
• Pages of publication: 1300
• a: 9.5723 ± 0.0003 Å
• b: 11.2623 ± 0.0004 Å
• c: 26.9897 ± 0.0009 Å
• α: 86.938 ± 0.001°
• β: 83.598 ± 0.001°
• γ: 88.504 ± 0.001°
• Cell volume: 2886.79 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.1932
• Weighted residual factors for all reflections included in the refinement: 0.2117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No