Information card for entry 7116767

Structure parameters

• Formula: C8 H26 Fe3 N6 Se4
• Calculated formula: C8 H26 Fe3 N6 Se4
• Title of publication: Control over connectivity and magnetism of tetrahedral FeSe2 chains through coordination Fe-amine complexes
• Authors of publication: Joshua T. Greenfield; Chongin Pak; Saeed Kamali; Kathleen Lee; Kirill Kovnir
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 5355
• a: 9.1399 ± 0.0015 Å
• b: 18.122 ± 0.003 Å
• c: 11.5436 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1912 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No