Information card for entry 4346533

Structure parameters

• Formula: C18 H54 Fe N3 Na Si6
• Calculated formula: C18 H54 Fe N3 Na Si6
• SMILES: C[Si]([N]1([Fe]([N]([Si](C)(C)C)([Si](C)(C)C)[Na]1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)(C)C
• Title of publication: Accessing sodium ferrate complexes containing neutral and anionic N-heterocyclic carbene ligands: structural, synthetic, and magnetic insights.
• Authors of publication: Maddock, Lewis C. H.; Cadenbach, Thomas; Kennedy, Alan R.; Borilovic, Ivana; Aromí, Guillem; Hevia, Eva
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 18
• Pages of publication: 9201 - 9210
• a: 8.7352 ± 0.0004 Å
• b: 19.0049 ± 0.0007 Å
• c: 20.675 ± 0.0009 Å
• α: 90°
• β: 105.66 ± 0.004°
• γ: 90°
• Cell volume: 3304.9 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.0575
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 0.887
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No