Information card for entry 1577060

Structure parameters

• Common name: 1,6-hexanediammonium tetrachlorocuprate
• Chemical name: catena-(hexane-1,6-diammonium bis(μ-chloro)-dichloro-manganese)
• Formula: C6 H18 Cl4 Mn N2
• Calculated formula: C6 H18 Cl4 Mn N2
• Title of publication: Structural phase transition, electronic and optical properties of the 2D hybrid organic-inorganic perovskite-type 2C6MnCl4
• Authors of publication: El Mustafa Ouaaka; Mustapha Aazza; Thierry Maris; El Mostafa Khechoubi
• Journal of publication: Physics Letters A
• Year of publication: 2026
• Journal volume: 575
• Pages of publication: 131409
• a: 13.346 ± 0.0003 Å
• b: 7.2874 ± 0.0002 Å
• c: 7.1629 ± 0.0002 Å
• α: 90°
• β: 93.604 ± 0.001°
• γ: 90°
• Cell volume: 695.27 ± 0.03 ų
• Cell temperature: 250 K
• Ambient diffraction temperature: 250 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: 0.0329
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes