Information card for entry 7113419

Structure parameters

• Formula: C16 H18 Cl6 Cu N8 Re
• Calculated formula: C16 H18 Cl6 Cu N8 Re
• SMILES: [Re](Cl)(Cl)(Cl)(Cl)([Cl-])[Cl-].[Cu]1([n]2ccccc2c2[n]1cc[nH]2)([n]1c[nH]cc1)[n]1c[nH]cc1.N#CC
• Title of publication: Metamagnetic behaviour in a new Cu(II)Re(IV) chain based on the hexachlororhenate(IV) anion
• Authors of publication: Jose Martinez-Lillo; John Kong; Wdeson P. Barros; Juan Faus; Miguel Julve; Euan K. Brechin
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 5840
• a: 9.8446 ± 0.0003 Å
• b: 9.9026 ± 0.0003 Å
• c: 14.1874 ± 0.0003 Å
• α: 93.534 ± 0.002°
• β: 98.603 ± 0.002°
• γ: 113.704 ± 0.003°
• Cell volume: 1240.78 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0255
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No