Information card for entry 2205607

Structure parameters

• Chemical name: Hemi[4-(carboxymethoxy)phenylsulfanylacetato-κ^2^O,O']hemi[4- (carboxymethylsulfanyl)phenyloxyacetato]bis(1,10-phenanthroline- κ^2^N,N')cadmium(II) 4-(carboxymethoxy)phenylsulfanylacetate dihydrate
• Formula: C44 H38 Cd N4 O12 S2
• Calculated formula: C44 H38 Cd N4 O12 S2
• Title of publication: Hemi[4-(carboxymethoxy)phenylsulfanylacetato-κ^2^<i>O,O</i>']hemi[4-(carboxymethylsulfanyl)phenyloxyacetato]bis(1,10-phenanthroline-κ^2^<i>N,N</i>')cadmium(II) 4-(carboxymethoxy)phenylsulfanylacetate dihydrate
• Authors of publication: Huo, Li-Hua; Gao, Shan; Zhao, Hui; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: m727 - m729
• a: 11.496 ± 0.002 Å
• b: 13.755 ± 0.003 Å
• c: 15.052 ± 0.003 Å
• α: 110.74 ± 0.01°
• β: 93.45 ± 0.01°
• γ: 100.09 ± 0.01°
• Cell volume: 2172.1 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.181
• Weighted residual factors for all reflections included in the refinement: 0.203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes