Information card for entry 2238456

Structure parameters

• Chemical name: <i>catena</i>-Poly[[aquabis(3-chlorobenzoato-κ^2^<i>O</i>,<i>O</i>')cadmium]-μ-<i>N</i>,<i>N</i>-diethylnicotinamide-κ^2^<i>N</i>^1^:<i>O</i>]
• Formula: C24 H24 Cd Cl2 N2 O6
• Calculated formula: C24 H24 Cd Cl2 N2 O6
• SMILES: [Cd]12([O]=C(O1)c1cc(Cl)ccc1)([O]=C(O2)c1cc(Cl)ccc1)([OH2])[n]1cc(ccc1)C(N(CC)CC)=[O][Cd]12([O]=C(O1)c1cc(Cl)ccc1)([O]=C(O2)c1cc(Cl)ccc1)([OH2])[n]1cc(ccc1)C(N(CC)CC)=O
• Title of publication: <i>catena</i>-Poly[[aquabis(3-chlorobenzoato-κ^2^<i>O</i>,<i>O</i>')cadmium]-μ-<i>N</i>,<i>N</i>-diethylnicotinamide-κ^2^<i>N</i>^1^:<i>O</i>]
• Authors of publication: Bozkurt, Nihat; Tunç, Tuncay; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: m466 - m467
• a: 25.1809 ± 0.0005 Å
• b: 7.0161 ± 0.0003 Å
• c: 30.6755 ± 0.0006 Å
• α: 90°
• β: 106.203 ± 0.003°
• γ: 90°
• Cell volume: 5204.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0488
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.351
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes