Information card for entry 2231396

Structure parameters

• Chemical name: Di-μ-acetato- κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'- bis[(acetato-κ^2^<i>O</i>,<i>O</i>')bis(5-nitro-1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')cadmium]
• Formula: C32 H26 Cd2 N6 O12
• Calculated formula: C32 H26 Cd2 N6 O12
• SMILES: [Cd]1234([O]=C(O1)C)([O]=C([O]2[Cd]125([O]3C(=[O]1)C)([O]=C(O2)C)[n]1cccc2c(N(=O)=O)cc3ccc[n]5c3c12)C)[n]1cccc2cc(N(=O)=O)c3ccc[n]4c3c12
• Title of publication: Di-μ-acetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[(acetato-κ^2^<i>O</i>,<i>O</i>')bis(5-nitro-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium]
• Authors of publication: Cui, Fenghua; Zhang, Shuxia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1247
• a: 18.653 ± 0.003 Å
• b: 11.2236 ± 0.0016 Å
• c: 15.51 ± 0.002 Å
• α: 90°
• β: 94.531 ± 0.002°
• γ: 90°
• Cell volume: 3236.9 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.035
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.0567
• 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: Yes