Information card for entry 4346534

Structure parameters

• Formula: C16 H47 Fe N2 Na Si5
• Calculated formula: C16 H47 Fe N2 Na Si5
• SMILES: C[Si](C)(C)[N]1([Fe](N([Si](C)(C)C)([Si](C)(C)C)[Na]1)C[Si](C)(C)C)[Si](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: 10.1531 ± 0.0005 Å
• b: 11.8733 ± 0.0005 Å
• c: 12.0556 ± 0.0005 Å
• α: 96.895 ± 0.004°
• β: 100.584 ± 0.004°
• γ: 92.769 ± 0.004°
• Cell volume: 1414.56 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.046
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No