Information card for entry 8105968

Structure parameters

• Formula: C27 H23 Cd N3 O5
• Calculated formula: C27 H23 Cd N3 O5
• Title of publication: Crystal structure of poly[(μ2-9H-carbazole-3,6-dicarboxylate-κ4O1,O2:O3,O4)(μ2-1,3-di(pyridin-4-yl)propane-κ2N:N′)cadmium(II)]monohydrate, C27H23N3O5Cd
• Authors of publication: Wang, Daguang; Li, Wei; Sun, Yabin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 6
• Pages of publication: 1169 - 1171
• a: 9.6161 ± 0.0007 Å
• b: 16.5427 ± 0.0011 Å
• c: 15.89 ± 0.0011 Å
• α: 90°
• β: 105.653 ± 0.001°
• γ: 90°
• Cell volume: 2434 ± 0.3 ų
• Cell temperature: 152 ± 2 K
• Ambient diffraction temperature: 152 ± 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 all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No