Information card for entry 4346535

Structure parameters

• Formula: C55 H107 Fe N4 Na O3 Si5
• Calculated formula: C55 H107 Fe N4 Na O3 Si5
• SMILES: c1(c(cccc1C(C)C)C(C)C)N1C(N(C=C1)c1c(cccc1C(C)C)C(C)C)=[Na]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.[Si](C)(C)(N([Fe](C[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](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: 10.5144 ± 0.0005 Å
• b: 17.5343 ± 0.0009 Å
• c: 18.5349 ± 0.0008 Å
• α: 90.401 ± 0.004°
• β: 96.397 ± 0.004°
• γ: 100.632 ± 0.004°
• Cell volume: 3336.2 ± 0.3 ų
• Cell temperature: 123.1 K
• Ambient diffraction temperature: 123.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No