Information card for entry 4506939

Structure parameters

• Formula: C44 H56 Cu2 N4 O22 P6
• Calculated formula: C44 H50 Cu2 N4 O22 P6
• Title of publication: Mechanistic Aspects for the Formation of Copper Dimer Bridged by Phosphonic Acid and Extending Its Dimensionality by Organic and Inorganic Linkers: Synthesis, Structural Characterization, Magnetic Properties, and Theoretical Studies
• Authors of publication: Tripuramallu, Bharat Kumar; Mukherjee, Sandip; Das, Samar K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 5579
• a: 9.9084 ± 0.0017 Å
• b: 17.024 ± 0.003 Å
• c: 16.134 ± 0.003 Å
• α: 90°
• β: 106.403 ± 0.002°
• γ: 90°
• Cell volume: 2610.7 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0347
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No