Information card for entry 7042822

Structure parameters

• Formula: C30 H60 Fe N5 Na O2 Si4
• Calculated formula: C30 H60 Fe N5 Na O2 Si4
• SMILES: c1cccc2[n]1[Na]1([N]32c2[n](cccc2)[Fe]3(N([Si](C)(C)C)[Si](C)(C)C)[N]1([Si](C)(C)C)[Si](C)(C)C)([O]1CCCC1)[O]1CCCC1
• 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: 12.3817 ± 0.0002 Å
• b: 20.4492 ± 0.0004 Å
• c: 16.2656 ± 0.0003 Å
• α: 90°
• β: 101.628 ± 0.002°
• γ: 90°
• Cell volume: 4033.86 ± 0.13 ų
• Cell temperature: 123.1 K
• Ambient diffraction temperature: 123.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No