Information card for entry 4307526

Structure parameters

• Common name: [(dpppa)Zn](ClO4)2
• Formula: C23 H35 Cl2 N5 O9 Zn
• Calculated formula: C23 H35 Cl2 N5 O9 Zn
• SMILES: [Zn]1234[O]=C(Nc5[n]1c(ccc5)C[N]2(Cc1[n]3cccc1)CC[N]4(CC)CC)C(C)(C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Influence of the Chelate Ligand Structure on the Amide Methanolysis Reactivity of Mononuclear Zinc Complexes
• Authors of publication: Gajendrasingh K. Ingle; Magdalena M. Makowska-Grzyska; Ewa Szajna-Fuller; Indranil Sen; John C. Price; Atta M. Arif; Lisa M. Berreau
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1471 - 1480
• a: 9.108 ± 0.0002 Å
• b: 11.5504 ± 0.0002 Å
• c: 14.2834 ± 0.0004 Å
• α: 88.594 ± 0.0014°
• β: 72.1198 ± 0.001°
• γ: 83.028 ± 0.0013°
• Cell volume: 1419.35 ± 0.06 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No