Information card for entry 4329929

Structure parameters

• Formula: C76 H52 Cu2 Er2 F36 N4 O16 S12
• Calculated formula: C76 H52 Cu2 Er2 F36 N4 O16 S12
• Title of publication: 3d4f Heterobimetallic Dinuclear and Tetranuclear Complexes Involving Tetrathiafulvalene as Ligands: X-ray Structures and Magnetic and Photophysical Investigations
• Authors of publication: Goulven Cosquer; Fabrice Pointillart; Boris Le Guennic; Yann Le Gal; Stéphane Golhen; Olivier Cador; Lahcène Ouahab
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 8488 - 8501
• a: 12.8981 ± 0.0013 Å
• b: 13.7598 ± 0.0016 Å
• c: 18.736 ± 0.002 Å
• α: 93.903 ± 0.004°
• β: 95.854 ± 0.005°
• γ: 111.867 ± 0.005°
• Cell volume: 3049.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1213
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No