Information card for entry 7043753

Structure parameters

• Formula: C14 H31 Cl6 Cu N5 O4 Re
• Calculated formula: C14 H31 Cl6 Cu N5 O4 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: 8.46428 ± 0.00019 Å
• b: 8.5772 ± 0.0002 Å
• c: 9.7582 ± 0.0002 Å
• α: 95.043 ± 0.002°
• β: 91.8824 ± 0.0019°
• γ: 90.111 ± 0.002°
• Cell volume: 705.31 ± 0.03 ų
• Cell temperature: 119.99 ± 0.1 K
• Ambient diffraction temperature: 119.99 ± 0.1 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: 0.0207
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections included in the refinement: 0.0475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No