Information card for entry 4519118

Structure parameters

• Formula: C14 H30 Mn N2 O2 S4
• Calculated formula: C14 H30 Mn N2 O2 S4
• SMILES: C1(OCCC)=[S][Mn]23([N](CC[N]2(C)C)(C)C)(S1)[S]=C(OCCC)S3
• 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: 11.8338 ± 0.0005 Å
• b: 11.9042 ± 0.0004 Å
• c: 15.5003 ± 0.0006 Å
• α: 90°
• β: 106.751 ± 0.002°
• γ: 90°
• Cell volume: 2090.9 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0356
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No