Information card for entry 4332130

Structure parameters

• Common name: organophosphonicacid
• Formula: C15 H23 O3 P
• Calculated formula: C15 H25 O3 P
• SMILES: P(=O)(O)(O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
• Title of publication: Assembly of Lipophilic Tetranuclear (Cu4and Zn4) Molecular Metallophosphonates from 2,4,6-Triisopropylphenylphosponic Acid and Pyrazole Ligands
• Authors of publication: Chandrasekhar, Vadapalli; Sasikumar, Palani; Boomishankar, Ramamoorthy; Anantharaman, Ganapathi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3344 - 3351
• a: 16.6243 ± 0.0014 Å
• b: 6.0677 ± 0.0005 Å
• c: 16.7285 ± 0.0015 Å
• α: 90°
• β: 110.597 ± 0.001°
• γ: 90°
• Cell volume: 1579.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0597
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No