Information card for entry 7061697

Structure parameters

• Formula: C40 H44 Cd2 Fe2 I4 N4 O9
• Calculated formula: C40 H44 Cd2 Fe2 I4 N4 O9
• SMILES: [Cd]1([O]2[Fe]34([N](=Cc5cccc(OCC)c25)CC[N]3=Cc2cccc(c2[O]14)OCC)O[Fe]123[O]4[Cd]([O]3c3c(C=[N]2CC[N]1=Cc1cccc(OCC)c41)cccc3OCC)(I)I)(I)I
• Title of publication: Synthesis, characterization and multi-dimensional application approach for two distinctive tetra nuclear, first-time reported, Fe3+/Hg2+ and Fe3+/Cd2+ clusters from a new Fe3+ containing metalloligand
• Authors of publication: Laha, Soumik; Sathapathi, Dibyendu; Das, Mainak; Das, Manik; Ray, Partha Pratim; Bag, Arijit; Samanta, Bidhan Chandra; Das, Uttam Kumar; Maity, Tithi
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 35
• Pages of publication: 16730 - 16742
• a: 22.384 ± 0.003 Å
• b: 14.7774 ± 0.0016 Å
• c: 14.2404 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4710.4 ± 1 ų
• Cell temperature: 249 ± 2 K
• Ambient diffraction temperature: 249 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No