Information card for entry 4332129

Structure parameters

• Common name: phosphonicdichloride
• Formula: C15 H23 Cl2 O P
• Calculated formula: C15 H23 Cl2 O P
• SMILES: P(=O)(Cl)(Cl)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: 9.7207 ± 0.0005 Å
• b: 14.3978 ± 0.0007 Å
• c: 11.6494 ± 0.0006 Å
• α: 90°
• β: 95.558 ± 0.001°
• γ: 90°
• Cell volume: 1622.75 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No