Information card for entry 7700827

Structure parameters

• Formula: C38 H60 Mn2 N20
• Calculated formula: C38 H30 Mn2 N20
• Title of publication: Structural, phonon, magnetic and optical properties of novel perovskite-like frameworks of TriBuMe[M(dca)₃] (TriBuMe = tributylmethylammonium; dca = dicyanamide; M = Mn²⁺, Fe²⁺, Co²⁺, Ni²⁺).
• Authors of publication: Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Stefańska, Dagmara; Macalik, Lucyna; Pikul, Adam; Sieradzki, Adam
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 34
• Pages of publication: 13006 - 13016
• a: 19.6529 ± 0.0013 Å
• b: 13.2746 ± 0.0006 Å
• c: 20.2864 ± 0.0013 Å
• α: 90°
• β: 115.633 ± 0.009°
• γ: 90°
• Cell volume: 4771.5 ± 0.6 ų
• Cell temperature: 290 ± 0.12 K
• Ambient diffraction temperature: 290 ± 0.12 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1933
• Weighted residual factors for all reflections included in the refinement: 0.2141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No