Information card for entry 2233400

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[bis[μ-3-(4-carboxyphenoxy)propionato]- κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^; κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^1'^- bis[aqua(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)cadmium]]-μ- 4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dinitrate]
• Formula: C46 H52 Cd2 N8 O20
• Calculated formula: C46 H52 Cd2 N8 O20
• SMILES: [Cd]123([O](C(=[O]1)CCOc1ccc(cc1)C(=O)O)[Cd]1([O]2C(=[O]1)CCOc1ccc(cc1)C(=O)O)([n]1ccc(cc1)c1ccncc1)([O]=CN(C)C)([OH2])[n]1ccc(cc1)c1cc[n](cc1)[Cd]12([O]4[Cd]([O]=C4CCOc4ccc(cc4)C(=O)O)([O]=CN(C)C)([OH2])([n]4ccc(cc4)c4cc[n]3cc4)[O]1C(=[O]2)CCOc1ccc(cc1)C(=O)O)([O]=CN(C)C)[OH2])([O]=CN(C)C)([OH2])[n]1ccc(cc1)c1ccncc1.O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[[bis[μ-3-(4-carboxyphenoxy)propionato]-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^;κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^1'^-bis[aqua(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)cadmium]]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dinitrate]
• Authors of publication: Gao, Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m214
• a: 9.102 ± 0.0005 Å
• b: 11.6866 ± 0.0005 Å
• c: 13.3534 ± 0.0005 Å
• α: 69.1646 ± 0.0011°
• β: 84.2052 ± 0.0016°
• γ: 76.9358 ± 0.0016°
• Cell volume: 1292.84 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes