Information card for entry 2014413

Structure parameters

• Chemical name: catena-poly[[bis(pentane-2,4-dionato-κ^2^O,O')zinc]-μ- 1,4-bis(3-pyridyl)-2,3-diazabuta-1,3-diene]
• Formula: C22 H24 N4 O4 Zn
• Calculated formula: C22 H24 N4 O4 Zn
• SMILES: [Zn]12([O]=C(C=C(O1)C)C)([O]=C(C=C(O2)C)C)[n]1cc(ccc1)/C=N/N=C/c1c[n](ccc1)[Zn]12([O]=C(C=C(O1)C)C)([O]=C(C=C(O2)C)C)[n]1cc(ccc1)/C=N/N=C/c1cccnc1
• Title of publication: Two one-dimensional zinc(II) coordination polymers: <i>catena</i>-poly[[bis(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')zinc]-μ-1,4-bis(<i>x</i>-pyridyl)-2,3-diazabuta-1,3-diene] (<i>x</i> = 3, 4)
• Authors of publication: Juan Granifo; María Teresa Garland; Ricardo Baggio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m56 - m59
• a: 6.8637 ± 0.0011 Å
• b: 8.6257 ± 0.0014 Å
• c: 9.9497 ± 0.0016 Å
• α: 80.536 ± 0.003°
• β: 73.444 ± 0.003°
• γ: 77.31 ± 0.003°
• Cell volume: 547.57 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0711
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No