Information card for entry 2217368

Structure parameters

• Chemical name: Bis(3,5-dicarboxybenzoato-κ^2^O,O')(1,10-phenanthroline-κ^2^N,N')cadmium(II)
• Formula: C30 H18 Cd N2 O12
• Calculated formula: C30 H18 Cd N2 O12
• SMILES: c1(cc(cc(c1)C(=O)O)C(=O)O)C1=[O][Cd]23([O]=C(c4cc(cc(c4)C(=O)O)C(=O)O)O2)([n]2cccc4c2c2[n]3cccc2cc4)O1
• Title of publication: Bis(3,5-dicarboxybenzoato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)
• Authors of publication: Chao Qin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m34 - m34
• a: 9.838 ± 0.002 Å
• b: 16.541 ± 0.003 Å
• c: 16.681 ± 0.003 Å
• α: 90°
• β: 96.32 ± 0.03°
• γ: 90°
• Cell volume: 2698 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0337
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes