Information card for entry 7207464

Structure parameters

• Formula: C14 H13 O5 P
• Calculated formula: C14 H13 O5 P
• SMILES: P(=O)(Cc1ccc(cc1)c1ccccc1C(=O)O)(O)O
• Title of publication: 0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties
• Authors of publication: Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 2268
• a: 6.387 ± 0.005 Å
• b: 6.888 ± 0.005 Å
• c: 15.845 ± 0.005 Å
• α: 79.079 ± 0.005°
• β: 85.111 ± 0.005°
• γ: 82.479 ± 0.005°
• Cell volume: 677.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No