Information card for entry 4335885

Structure parameters

• Formula: C54 H29 Br6 Fe Mn N6 O14
• Calculated formula: C54 H28.98 Br6 Fe Mn N6 O14
• Title of publication: A Family of Layered Chiral Porous Magnets Exhibiting Tunable Ordering Temperatures
• Authors of publication: Matteo Atzori; Samia Benmansour; Guillermo Mínguez Espallargas; Miguel Clemente-León; Alexandre Abhervé; Patricia Gómez-Claramunt; Eugenio Coronado; Flavia Artizzu; Elisa Sessini; Paola Deplano; Angela Serpe; Maria Laura Mercuri; Carlos J. Gómez García
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 10031 - 10040
• a: 13.9147 ± 0.0002 Å
• b: 13.9147 ± 0.0002 Å
• c: 9.1747 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1538.4 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 162
• Hermann-Mauguin space group symbol: P -3 1 m
• Hall space group symbol: -P 3 2
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.2048
• Weighted residual factors for all reflections included in the refinement: 0.2157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No