Information card for entry 4513007

Structure parameters

• Formula: C16 H22 Br6 N8 O4 Re
• Calculated formula: C16 H22 Br6 N8 O4 Re
• Title of publication: Effect of Protonated Organic Cations and Anion−π Interactions on the Magnetic Behavior of Hexabromorhenate(IV) Salts
• Authors of publication: Martínez-Lillo, José; Pedersen, Anders H.; Faus, Juan; Julve, Miguel; Brechin, Euan K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 2598
• a: 7.00853 ± 0.00019 Å
• b: 14.2899 ± 0.0004 Å
• c: 14.7561 ± 0.0005 Å
• α: 109.521 ± 0.003°
• β: 92.258 ± 0.002°
• γ: 101.047 ± 0.002°
• Cell volume: 1358.51 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 0.1 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: 0.0384
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No