Information card for entry 4302475

Structure parameters

• Formula: C29 H25 Cl9 I4 N4 Ni O2
• Calculated formula: C29 H25 Cl9 I4 N4 Ni O2
• SMILES: Ic1cc2C[NH]3[Ni]45([n]6ccccc6C3)(Oc2c(I)c1)[n]1ccccc1C[NH]4Cc1cc(I)cc(I)c1O5.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Comparative Activities of Nickel(II) and Zinc(II) Complexes of Asymmetric [NN'O] Ligands as 26S Proteasome Inhibitors
• Authors of publication: Michael Frezza; Sarmad Sahiel Hindo; Dajena Tomco; Marco M. Allard; Qiuzhi Cindy Cui; Mary Jane Heeg; Di Chen; Cláudio N. Verani; Q. Ping Dou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 5928 - 5937
• a: 18.4231 ± 0.0005 Å
• b: 10.1797 ± 0.0003 Å
• c: 22.1493 ± 0.0006 Å
• α: 90°
• β: 92.812 ± 0.001°
• γ: 90°
• Cell volume: 4148.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No