Information card for entry 4519117

Structure parameters

• Formula: C18 H38 Mn N2 O2 S4
• Calculated formula: C18 H38 Mn N2 O2 S4
• SMILES: [Mn]123([S]=C(S1)OCCCCC)([S]=C(S2)OCCCCC)[N](CC[N]3(C)C)(C)C
• Title of publication: Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes.
• Authors of publication: Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J.
• Journal of publication: ACS omega
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 42
• Pages of publication: 27716 - 27725
• a: 7.5898 ± 0.0004 Å
• b: 11.8599 ± 0.0005 Å
• c: 16.0804 ± 0.0007 Å
• α: 70.704 ± 0.004°
• β: 78.932 ± 0.004°
• γ: 72.591 ± 0.004°
• Cell volume: 1296.59 ± 0.11 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No