Information card for entry 4506941

Structure parameters

• Formula: C18 H20 Cu N2 O7 P2
• Calculated formula: C18 H19 Cu N2 O7 P2
• 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: 9.9763 ± 0.0011 Å
• b: 10.171 ± 0.0011 Å
• c: 11.3001 ± 0.0013 Å
• α: 110.125 ± 0.002°
• β: 108.317 ± 0.002°
• γ: 92.168 ± 0.002°
• Cell volume: 1008.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No