Information card for entry 4332132

Structure parameters

• Common name: mtallophosphate
• Formula: C95 H160 N12 O17 P4 Zn4
• Calculated formula: C93 H125 N12 O15 P4 Zn4
• 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: 15.898 ± 0.005 Å
• b: 16.563 ± 0.005 Å
• c: 21.746 ± 0.005 Å
• α: 95.366 ± 0.005°
• β: 101.054 ± 0.005°
• γ: 103.679 ± 0.005°
• Cell volume: 5402 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1206
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.1648
• Weighted residual factors for all reflections included in the refinement: 0.1856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No