Information card for entry 7700826

Structure parameters

• Formula: C38 H60 Mn2 N20
• Calculated formula: C38 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: 10.89 ± 0.0018 Å
• b: 17.0382 ± 0.0018 Å
• c: 13.0657 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2424.3 ± 0.6 ų
• Cell temperature: 375 ± 0.1 K
• Ambient diffraction temperature: 375 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1307
• Residual factor for significantly intense reflections: 0.0826
• Weighted residual factors for significantly intense reflections: 0.2659
• Weighted residual factors for all reflections included in the refinement: 0.3134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No