Information card for entry 4346530

Structure parameters

• Formula: C51 H95 Fe N4 Na O3 Si4
• Calculated formula: C51 H95 Fe N4 Na O3 Si4
• SMILES: [Fe](C1N(C(=[Na]([O]2CCCC2)([O]2CCCC2)[O]2CCCC2)N(c2c(cccc2C(C)C)C(C)C)C=1)c1c(cccc1C(C)C)C(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([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: 15.2296 ± 0.0003 Å
• b: 18.0203 ± 0.0004 Å
• c: 21.9241 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6016.9 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No