Information card for entry 7112876

Structure parameters

• Formula: C36 H20 Cu2 N8 O8 S8
• Calculated formula: C36 H20 Cu2 N8 O8 S8
• SMILES: c1cccc2n1=[O][Cu]13N2C(=O)C2=CSC(=C4SC(=CS4)C(=O)N4c5ccccn5=[O][Cu]54N(c4ccccn4=[O]5)C(=O)C4=CSC(=C5SC=C(C(=O)N1c1ccccn1=[O]3)S5)S4)S2
• Title of publication: Binuclear Cu(ii) coordination complex involving Cis-tetrathiafulvalene-bis-amido-2-pyridine-N-oxide as bi-anionic ligand: a robust molecular precursor toward magnetic conducting materials.
• Authors of publication: Pointillart, Fabrice; Cauchy, Thomas; Le Gal, Yann; Golhen, Stéphane; Cador, Olivier; Ouahab, Lahcène
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 27
• Pages of publication: 4947 - 4949
• a: 14.231 ± 0.003 Å
• b: 12.153 ± 0.003 Å
• c: 27.846 ± 0.007 Å
• α: 90°
• β: 104.3 ± 0.01°
• γ: 90°
• Cell volume: 4666.7 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1259
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No