Information card for entry 7123083

Structure parameters

• Formula: C8 H34 B18 Fe N
• Calculated formula: C8 H34 B18 Fe N
• Title of publication: Slow Spin Relaxation in a Low-Spin S=1/2 FeIII Carborane Complex
• Authors of publication: Buades, Anna B.; Arderiu, Víctor S.; Maxwell, Lindley; Amoza-Davila, Martin; Choquesillo-Lazarte, Duane; Aliaga-Alcalde, Núria; Vinas, Clara; Teixidor, Francesc; Ruiz, Eliseo
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 6.8764 ± 0.0003 Å
• b: 28.8263 ± 0.0015 Å
• c: 10.7581 ± 0.0005 Å
• α: 90°
• β: 91.294 ± 0.001°
• γ: 90°
• Cell volume: 2131.94 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.82654 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No