Information card for entry 7043751

Structure parameters

• Formula: C16 H20 Cl6 Cu N12 Re
• Calculated formula: C16 H20 Cl6 Cu N12 Re
• Title of publication: Magneto-structural correlations in a family of ReIVCuII chains based on the hexachlororhenate(IV) metalloligand
• Authors of publication: Brechin, Euan K.; Pedersen, Anders Hjordt H.; Julve, Miguel; Martínez-Lillo, José; Cano, Joan
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 9.46035 ± 0.00013 Å
• b: 14.5535 ± 0.0002 Å
• c: 9.73308 ± 0.00013 Å
• α: 90°
• β: 95.2788 ± 0.0012°
• γ: 90°
• Cell volume: 1334.38 ± 0.03 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 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: 0.0279
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0378
• Weighted residual factors for all reflections included in the refinement: 0.0394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No