Information card for entry 4504983

Structure parameters

• Formula: C17 H32 N4 O12 P4
• Calculated formula: C17 H31 N4 O12 P4
• Title of publication: Crystal Engineered Acid‒Base Complexes with 2D and 3D Hydrogen Bonding Systems Using a Bisphosphonic Acid as the Building Block
• Authors of publication: Kong, Deyuan; McBee, Jennifer L.; Clearfield, Abraham
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 2
• Pages of publication: 643 - 649
• a: 29.267 ± 0.005 Å
• b: 5.4416 ± 0.001 Å
• c: 18.067 ± 0.003 Å
• α: 90°
• β: 120.093 ± 0.003°
• γ: 90°
• Cell volume: 2489.5 ± 0.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No