Information card for entry 2241519

Structure parameters

• Chemical name: Bis(1,3-diaminopropane-κ^2^<i>N</i>,<i>N</i>')bis[2-(4-nitrophenyl)acetato-κ<i>O</i>]cadmium
• Formula: C22 H32 Cd N6 O8
• Calculated formula: C22 H32 Cd N6 O8
• SMILES: c1c(ccc(CC(=O)O[Cd]23([NH2]CCC[NH2]2)([NH2]CCC[NH2]3)OC(=O)Cc2ccc(cc2)N(=O)=O)c1)N(=O)=O
• Title of publication: Crystal structure of bis(1,3-diaminopropane-κ^2^<i>N</i>,<i>N</i>')bis[2-(4-nitrophenyl)acetato-κ<i>O</i>]cadmium
• Authors of publication: Rahn, Ian M.; Crawford, Carlos L.; Assefa, Zerihun; Hendrich, Jeffery; Sykora, Richard E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 2
• Pages of publication: 226 - 228
• a: 14.6943 ± 0.0005 Å
• b: 11.1227 ± 0.0003 Å
• c: 8.3523 ± 0.0003 Å
• α: 90°
• β: 105.778 ± 0.004°
• γ: 90°
• Cell volume: 1313.67 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0362
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes