Information card for entry 4503530

Structure parameters

• Formula: C68.57 H146.1 N6 O24 P3
• Calculated formula: C68.562 H137.248 N6 O24 P3
• Title of publication: Hydrogen-Bonded Structures Formed from the Reaction of 1,3,5-Benzene-triphosphonic Acid and Adamantane
• Authors of publication: Kong, Deyuan; Yao, Jiyong; Clearfield, Abraham; Zon, Jerzy
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 8
• Pages of publication: 2892
• a: 11.002 ± 0.008 Å
• b: 19.264 ± 0.013 Å
• c: 20.6 ± 0.014 Å
• α: 72.623 ± 0.012°
• β: 84.532 ± 0.013°
• γ: 76.059 ± 0.012°
• Cell volume: 4043 ± 5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.1134
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.2223
• Weighted residual factors for all reflections included in the refinement: 0.245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No