Information card for entry 2205006

Structure parameters

• Chemical name: Poly[tetra-μ~2~-azido-di-μ~2~-4,4'-bipyridine-sodium(I)iron(III)]
• Formula: C20 H16 Fe N16 Na
• Calculated formula: C20 H16 Fe N16 Na
• SMILES: [Fe](N=N#N)(N=N#N)(N=N#N)(N=N#N)([n]1ccc(cc1)c1cc[n](cc1)[Fe](N=N#N)(N=N#N)(N=N#N)N=N#N)[n]1ccc(c2cc[n]cc2)cc1.[Na+].n1ccc(c2ccncc2)cc1.[Na+].n1ccc(c2ccncc2)cc1
• Title of publication: Poly[tetra-μ~2~-azido-di-μ~2~-4,4'-bipyridine-sodium(I)iron(III)]
• Authors of publication: Näther, Christian; Greve, Jan; Jeß, Inke
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m317 - m319
• a: 11.4626 ± 0.0006 Å
• b: 12.0032 ± 0.0009 Å
• c: 16.7541 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2305.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes