Information card for entry 7042824

Structure parameters

• Formula: C37.5 H36 Fe N9 Na O
• Calculated formula: C37.5 H36 Fe N9 Na O
• SMILES: c1c2[n](ccc1)[Na]13([N]42c2cccc[n]2[Fe]254([N]3(c3[n]1cccc3)c1[n]2cccc1)[n]1ccccc1[N-]c1[n]5cccc1)[O]1CCCC1.c1ccccc1C
• 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: 20.5102 ± 0.001 Å
• b: 9.6402 ± 0.0004 Å
• c: 17.7307 ± 0.0007 Å
• α: 90°
• β: 99.067 ± 0.004°
• γ: 90°
• Cell volume: 3462 ± 0.3 ų
• Cell temperature: 123.6 ± 0.8 K
• Ambient diffraction temperature: 123.6 ± 0.8 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: 0.1151
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No