Information card for entry 4506943

Structure parameters

• Formula: C28 H28 Cu2 Mo2 N4 O14 P2
• Calculated formula: C28 H26 Cu2 Mo2 N4 O14 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: 11.13 ± 0.006 Å
• b: 12.406 ± 0.007 Å
• c: 13.926 ± 0.007 Å
• α: 71.952 ± 0.008°
• β: 72.257 ± 0.008°
• γ: 64.876 ± 0.007°
• Cell volume: 1621.4 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0333
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No