Information card for entry 4519113

Structure parameters

• Formula: C10 H22 Mn N2 O2 S4
• Calculated formula: C10 H22 Mn N2 O2 S4
• SMILES: [Mn]123([S]=C(S2)OC)([S]=C(S1)OC)[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: 15.2336 ± 0.0008 Å
• b: 16.3399 ± 0.0007 Å
• c: 13.8528 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3448.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1928
• Weighted residual factors for all reflections included in the refinement: 0.2233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No