Information card for entry 7000624

Structure parameters

• Formula: C12 H36 Fe N3 O15 S6
• Calculated formula: C12 H36 Fe N3 O15.006 S6
• Title of publication: Magnetic and high-frequency EPR studies of an octahedral Fe(iii) compound with unusual zero-field splitting parameters
• Authors of publication: Solano-Peralta, Alejandro; Saucedo-Vázquez, Juan P.; Escudero, Roberto; Höpfl, Herbert; El-Mkami, Hassane; Smith, Graham M.; Sosa-Torres, Martha E.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 9
• Pages of publication: 1668 - 1674
• a: 11.3913 ± 0.0006 Å
• b: 11.3913 ± 0.0006 Å
• c: 19.6535 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2208.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No