Information card for entry 7019815

Structure parameters

• Formula: C36 H30 Fe2 N12 Na O12
• Calculated formula: C36 H30 Fe2 N12 Na O12
• SMILES: N1O[Fe]2345[O]([Na]67([O]4=C(c4ccncc4)NO2)([O]5=C(c2ccncc2)NO3)[O]2=C(c3ccncc3)NO[Fe]342(ONC(c2ccncc2)=[O]63)ONC(c2ccncc2)=[O]74)=C1c1ccncc1
• Title of publication: Encapsulation of a guest sodium cation by iron(iii) tris-(hydroxamate)s.
• Authors of publication: Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Boyko, Aleksander N.; Haukka, Matti; Fritsky, Igor O.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 31
• Pages of publication: 9427 - 9430
• a: 22.28 ± 0.003 Å
• b: 22.28 ± 0.003 Å
• c: 22.28 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11060 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 222
• Hermann-Mauguin space group symbol: P n -3 n :2
• Hall space group symbol: -P 4a 2bc 3
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.2107
• Weighted residual factors for all reflections included in the refinement: 0.2208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No