Information card for entry 7006919

Structure parameters

• Formula: C12 H14 N4 O6 Zn
• Calculated formula: C12 H12 N4 O6 Zn
• SMILES: Oc1c2C(N)=[O][Zn]3([n]2ccc1)(O)([n]1c(c(O)ccc1)C(N)=[O]3)O
• Title of publication: A photoluminescent six-coordinated zinc(II) complex with hydroxides as axial ligands, [Zn(Hhpa)2(OH)2] (Hhpa = 3-hydroxypicolinamide).
• Authors of publication: Sakai, Ken-ichi; Imakubo, Tatsuro; Ichikawa, Musubu; Taniguchi, Yoshio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 7
• Pages of publication: 881 - 883
• a: 8.074 ± 0.003 Å
• b: 13.378 ± 0.005 Å
• c: 13.562 ± 0.005 Å
• α: 90°
• β: 97.218 ± 0.008°
• γ: 90°
• Cell volume: 1453.3 ± 0.9 ų
• Cell temperature: 273.2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 0.813
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No