Information card for entry 4513713

Structure parameters

• Formula: C81 H67 Cl6 Fe O12 P3
• Calculated formula: C81 H67 Cl6 Fe O12 P3
• Title of publication: Key Role of the Cation in the Crystallization of Chiral Tris(Anilato)Metalate Magnetic Anions
• Authors of publication: Benmansour, Samia; Gómez-Claramunt, Patricia; Vallés-García, Cristina; Mínguez Espallargas, Guillermo; Gómez García, Carlos J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2016
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 518
• a: 13.7948 ± 0.0004 Å
• b: 14.5418 ± 0.0004 Å
• c: 19.4102 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3893.71 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 32
• Hermann-Mauguin space group symbol: P 2 c b
• Hall space group symbol: P -2bc 2
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.2043
• Weighted residual factors for all reflections included in the refinement: 0.2211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No