Information card for entry 4505093

Structure parameters

• Formula: C21 H21 N3 O9 P3
• Calculated formula: C21 H21 N3 O9 P3
• Title of publication: Crystal-Engineered Three-Dimensional Hydrogen-Bonding Networks Built with 1,3,5-Benzenetri(phosphonic acid) and Bipyridine Synthons
• Authors of publication: Kong, Deyuan; Clearfield, Abraham; Zoń, Jerzy
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 5
• Pages of publication: 1767
• a: 10.3098 ± 0.0019 Å
• b: 15.608 ± 0.003 Å
• c: 14.243 ± 0.003 Å
• α: 90°
• β: 101.618 ± 0.003°
• γ: 90°
• Cell volume: 2245 ± 0.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.236
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No