Information card for entry 7206350

Structure parameters

• Formula: C18 H36 Fe N3 S6
• Calculated formula: C18 H36 Fe N3 S6
• SMILES: C1(N(C(C)C)CC)=[S][Fe]23(S1)([S]=C(N(C(C)C)CC)S2)[S]=C(N(C(C)C)CC)S3
• Title of publication: Deposition of iron sulfide nanocrystals from single source precursors
• Authors of publication: Akhtar, Masood; Akhter, Javeed; Malik, M. Azad; O'Brien, Paul; Tuna, Floriana; Raftery, James; Helliwell, Madeleine
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2011
• Journal volume: 21
• Journal issue: 26
• Pages of publication: 9737
• a: 14.7078 ± 0.0011 Å
• b: 10.1581 ± 0.0008 Å
• c: 17.88 ± 0.0014 Å
• α: 90°
• β: 105.789 ± 0.001°
• γ: 90°
• Cell volume: 2570.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0644
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No