Information card for entry 7043982

Structure parameters

• Formula: C36 H76 Br10 N4 Re2
• Calculated formula: C36 H76 Br10 N4 Re2
• Title of publication: Magneto-structural correlations in dirhenium(IV) complexes possessing magnetic pathways with even or odd numbers of atoms.
• 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: 11.063 ± 0.0003 Å
• b: 22.3446 ± 0.0005 Å
• c: 11.9834 ± 0.0004 Å
• α: 90°
• β: 115.626 ± 0.004°
• γ: 90°
• Cell volume: 2670.9 ± 0.16 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No