Information card for entry 4504981

Structure parameters

• Formula: C14 H42 N4 O13 P2
• Calculated formula: C14 H42 N4 O13 P2
• 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: 9.447 ± 0.006 Å
• b: 18.891 ± 0.011 Å
• c: 13.612 ± 0.008 Å
• α: 90°
• β: 90.388 ± 0.009°
• γ: 90°
• Cell volume: 2429 ± 3 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: 0.033
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No