Information card for entry 2241390

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>]zinc(II)
• Formula: C22 H32 N6 O8 Zn
• Calculated formula: C22 H32 N6 O8 Zn
• SMILES: c1c(ccc(CC(=O)O[Zn]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>]zinc(II)
• Authors of publication: Roberts, T. J.; Mehari, T. F.; Assefa, Z.; Hamby, T.; Sykora, R. E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: m240 - m241
• a: 14.3933 ± 0.0018 Å
• b: 11.0261 ± 0.0014 Å
• c: 8.2453 ± 0.0011 Å
• α: 90°
• β: 105.119 ± 0.013°
• γ: 90°
• Cell volume: 1263.3 ± 0.3 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 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: 0.0454
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes