Information card for entry 2016040

Structure parameters

• Chemical name: Poly[[aquabis(μ~2~-isonicotinato-κ^3^N:O,O')cadmium(II)] 1,4-di-3-pyridyl-2,3-diaza-1,3-butadiene hemisolvate]
• Formula: C18 H15 Cd N4 O5
• Calculated formula: C72 H60 Cd4 N16 O20
• Title of publication: Poly[[aquabis(μ~2~-isonicotinato-κ^3^<i>N</i>:<i>O</i>,<i>O</i>')cadmium(II)] 1,4-di-3-pyridyl-2,3-diaza-1,3-butadiene hemisolvate]
• Authors of publication: Juan Granifo; Ricardo Baggio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m327 - m330
• a: 11.882 ± 0.007 Å
• b: 15.518 ± 0.005 Å
• c: 20.637 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3805 ± 3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1573
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1861
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes