Information card for entry 7116768

Structure parameters

• Formula: C6 H18 Fe3 N4 Se4
• Calculated formula: C6 H18 Fe3 N4 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: 9.0393 ± 0.0016 Å
• b: 10.6303 ± 0.0019 Å
• c: 16.641 ± 0.003 Å
• α: 90°
• β: 102.652 ± 0.003°
• γ: 90°
• Cell volume: 1560.2 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No