Information card for entry 7239300

Structure parameters

• Formula: C8 H9 O5 P
• Calculated formula: C8 H9 O5 P
• Title of publication: Supramolecular networks formation in crystals of 3-carboxybenzylphosphonic acid, its complexes and salts: from coordination bonds to weak intermolecular interactions
• Authors of publication: Dobrzyńska, Danuta; Kubiak, Joanna; Janczak, Jan; Zoń, Jerzy
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 45
• Pages of publication: 23119
• a: 5.476 ± 0.0011 Å
• b: 5.215 ± 0.001 Å
• c: 33.117 ± 0.007 Å
• α: 90°
• β: 94.12 ± 0.01°
• γ: 90°
• Cell volume: 943.3 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.0572
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No