Information card for entry 8101862

Structure parameters

• Chemical name: aqua(1,10-phenanthroline-N,N')(2-nitrobenzoato-O)(2-nitrobenzoato- O,O')cadmium(II)
• Formula: C26 H18 Cd N4 O9
• Calculated formula: C26 H18 Cd N4 O9
• SMILES: [Cd]12([n]3cccc4ccc5ccc[n]1c5c34)([OH2])(OC(=O)c1ccccc1N(=O)=O)OC(=[O]2)c1ccccc1N(=O)=O
• Title of publication: Crystal structure of aqua(1,10-phenanthroline-N,N')(2-nitrobenzoato- O)(2-nitrobenzoato-O,O')cadmium(II), Cd(H~2~O)(NO~2~C~6~H~4~COO)~2~ (C~12~H~8~N~2~)
• Authors of publication: Zhao, G.-L.; Wen, Y.-H.; Feng, Y.-L.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 4
• Pages of publication: 563 - 564
• a: 10.2989 ± 0.0008 Å
• b: 11.5069 ± 0.0009 Å
• c: 11.8211 ± 0.001 Å
• α: 96.048 ± 0.002°
• β: 103.245 ± 0.001°
• γ: 109.525 ± 0.001°
• Cell volume: 1259.69 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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 significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No