Information card for entry 2237056

Structure parameters

• Chemical name: Bis(9-allyl-6-carboxy-9<i>H</i>-carbazole-3-carboxylato- κ^2^<i>O</i>^3^,<i>O</i>^3'^)diaquazinc
• Formula: C34 H28 N2 O10 Zn
• Calculated formula: C34 H28 N2 O10 Zn
• SMILES: C=CCn1c2ccc(cc2c2c1ccc(c2)C(=O)O)C1=[O][Zn]2(O1)([OH2])([OH2])OC(=[O]2)c1ccc2c(c1)c1cc(ccc1n2CC=C)C(=O)O
• Title of publication: Bis(9-allyl-6-carboxy-9<i>H</i>-carbazole-3-carboxylato-κ^2^<i>O</i>^3^,<i>O</i>^3'^)diaquazinc
• Authors of publication: Li, Dailin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m1462
• a: 30.8562 ± 0.0018 Å
• b: 5.0491 ± 0.0003 Å
• c: 21.8915 ± 0.0013 Å
• α: 90°
• β: 119.403 ± 0.001°
• γ: 90°
• Cell volume: 2971.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes