Information card for entry 7037693

Structure parameters

• Formula: C18 H30 Fe N3 S6
• Calculated formula: C18 H30 Fe N3 S6
• Title of publication: Heterocyclic dithiocarbamato-iron(iii) complexes: single-source precursors for aerosol-assisted chemical vapour deposition (AACVD) of iron sulfide thin films.
• Authors of publication: Mlowe, Sixberth; Lewis, David J.; Malik, Mohammad Azad; Raftery, James; Mubofu, Egid B.; O'Brien, Paul; Revaprasadu, Neerish
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 6
• Pages of publication: 2647 - 2655
• a: 13.0387 ± 0.0009 Å
• b: 11.8818 ± 0.0009 Å
• c: 15.926 ± 0.0015 Å
• α: 90°
• β: 101.292 ± 0.006°
• γ: 90°
• Cell volume: 2419.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No