Information card for entry 2221491

Structure parameters

• Chemical name: Di-μ-chromato-κ^4^<i>O</i>:<i>O</i>'-bis[bis(phenanthroline- κ^2^<i>N</i>,<i>N</i>')cadmium(II)] dihydrate
• Formula: C48 H36 Cd2 Cr2 N8 O10
• Calculated formula: C48 H36 Cd2 Cr2 N8 O10
• SMILES: c1ccc2c3c4c(ccc[n]4[Cd]45([n]13)([n]1cccc3c1c1[n]4cccc1cc3)O[Cr](=O)(=O)O[Cd]13([n]4cccc6c4c4c(ccc[n]14)cc6)([n]1cccc4c1c1[n]3cccc1cc4)O[Cr](O5)(=O)=O)cc2.O.O
• Title of publication: Di-μ-chromato-κ^4^<i>O</i>:<i>O</i>'-bis[bis(phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)] dihydrate
• Authors of publication: Liu, Hai-Xing; Jian, Fang-Fang; Wang, Jing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: m392 - m393
• a: 11.2303 ± 0.0013 Å
• b: 13.6892 ± 0.0016 Å
• c: 14.5352 ± 0.0019 Å
• α: 90°
• β: 91.928 ± 0.001°
• γ: 90°
• Cell volume: 2233.3 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1066
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 0.862
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes