Information card for entry 2241978

Structure parameters

• Chemical name: Bis(μ-<i>N</i>-hydroxypicolinamidato)bis[bis(<i>N</i>-hydroxypicolinamide)sodium]
• Formula: C36 H34 N12 Na2 O12
• Calculated formula: C36 H34 N12 Na2 O12
• SMILES: [Na]12([O]=C(NO)c3ccccn3)([O]=C(NO)c3ccccn3)ONC(c3ncccc3)=[O]1[Na]1([O]=C(NO)c3ccccn3)([O]=C(NO)c3ccccn3)ONC(c3ncccc3)=[O]12
• Title of publication: Crystal structure of bis(μ-<i>N</i>-hydroxypicolinamidato)bis[bis(<i>N</i>-hydroxypicolinamide)sodium]
• Authors of publication: Safyanova, Inna S.; Ohui, Kateryna A.; Omelchenko, Irina V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 1
• Pages of publication: 24 - 27
• a: 9.7997 ± 0.0007 Å
• b: 10.0959 ± 0.0007 Å
• c: 11.0401 ± 0.0008 Å
• α: 96.618 ± 0.006°
• β: 102.741 ± 0.006°
• γ: 113.902 ± 0.007°
• Cell volume: 948.02 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1251
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes