Information card for entry 7042823

Structure parameters

• Formula: C32 H52 Fe2 N8 Si4
• Calculated formula: C32 H52 Fe2 N8 Si4
• SMILES: C[Si](C)(C)N([Fe]12N(c3cccc[n]13)c1[n](cccc1)[Fe]1(N([Si](C)(C)C)[Si](C)(C)C)N(c3cccc[n]13)c1[n]2cccc1)[Si](C)(C)C
• Title of publication: Synthetic, Structural and Magnetic Implications of Introducing 2,2'-Dipyridylamide to Sodium Ferrate Complexes
• Authors of publication: Maddock, Lewis; Borilovic, Ivana; McIntyre, Jamie; Kennedy, Alan; Aromi, Guillem; Hevia, Eva
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 9.3817 ± 0.0002 Å
• b: 20.4274 ± 0.0004 Å
• c: 10.5678 ± 0.0002 Å
• α: 90°
• β: 104.402 ± 0.002°
• γ: 90°
• Cell volume: 1961.61 ± 0.07 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• 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: 0.0487
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No