Information card for entry 4332131

Structure parameters

• Common name: Metal phosphonate
• Formula: C59 H94 Cl2 Cu4 N8 O16 P2
• Calculated formula: C58.5 H95 Cl Cu4 N8 O16 P2
• 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: 12.4542 ± 0.0019 Å
• b: 13.852 ± 0.002 Å
• c: 22.939 ± 0.004 Å
• α: 86.679 ± 0.003°
• β: 89.099 ± 0.003°
• γ: 88.595 ± 0.003°
• Cell volume: 3949.1 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1863
• Weighted residual factors for all reflections included in the refinement: 0.1975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No