Information card for entry 2206974

Structure parameters

• Chemical name: trans-Bis(isoquinoline-3-carboxylato-κ^2^N,O)bis(methanol-κO)zinc(II)
• Formula: C22 H20 N2 O6 Zn
• Calculated formula: C22 H20 N2 O6 Zn
• SMILES: c12cc3ccccc3c[n]1[Zn]1(OC2=O)([OH]C)([n]2c(cc3ccccc3c2)C(=O)O1)[OH]C
• Title of publication: <i>trans</i>-Bis(isoquinoline-3-carboxylato-κ^2^<i>N</i>,<i>O</i>)bis(methanol-κ<i>O</i>)zinc(II)
• Authors of publication: Okabe, Nobuo; Muranishi, Yasunori; Mamiko, Odoko
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m1946 - m1947
• a: 10.672 ± 0.001 Å
• b: 6.301 ± 0.002 Å
• c: 15.091 ± 0.001 Å
• α: 90°
• β: 100.567 ± 0.009°
• γ: 90°
• Cell volume: 997.6 ± 0.3 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes