Information card for entry 7208413

Structure parameters

• Formula: C51.5 H55 Fe N6 O3 Se3
• Calculated formula: C51.5 H55 Fe N6 O3 Se3
• SMILES: [Fe]123([Se]=C(N=C(O1)c1cc4ccccc4cc1)N(CC)CC)([Se]=C(N=C(O2)c1cc2ccccc2cc1)N(CC)CC)[Se]=C(N=C(O3)c1cc2ccccc2cc1)N(CC)CC.Cc1ccccc1
• Title of publication: Deposition of iron selenide nanocrystals and thin films from tris(N,N-diethyl-N′-naphthoylselenoureato)iron(iii)
• Authors of publication: Akhtar, Masood; Akhtar, Javeed; Malik, Mohammad Azad; Tuna, Floriana; Helliwell, Madeleine; O'Brien, Paul
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 30
• Pages of publication: 14970
• a: 10.242 ± 0.005 Å
• b: 19.254 ± 0.009 Å
• c: 24.7 ± 0.012 Å
• α: 84.455 ± 0.007°
• β: 79.483 ± 0.008°
• γ: 89.85 ± 0.007°
• Cell volume: 4766 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1218
• Residual factor for significantly intense reflections: 0.1038
• Weighted residual factors for significantly intense reflections: 0.2402
• Weighted residual factors for all reflections included in the refinement: 0.249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No