Information card for entry 4320583

Structure parameters

• Formula: C20 H40 Cl2 N6 O10 Zn2
• Calculated formula: C20 H40 Cl2 N6 O10 Zn2
• SMILES: [Zn]1234[O](CCCC)[Zn]567[O]1c1c(cccc1C[N]6(CC[NH2]7)CC[NH2]5)C[N]3(CC[NH2]4)CC[NH2]2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Addition of Small Molecules by Zn(II) and Cu(II) Dinuclear Complexes Obtained by an Amino-Phenolic Ligand. Crystal Structures of the Dinuclear Zinc Complex Assembling Butanolate and Azide Anions
• Authors of publication: Paolo Dapporto; Mauro Formica; Vieri Fusi; Luca Giorgi; Mauro Micheloni; Paola Paoli; Roberto Pontellini; Patrizia Rossi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6186 - 6192
• a: 11.483 ± 0.005 Å
• b: 14.166 ± 0.005 Å
• c: 18.279 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2973.4 ± 1.9 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P 21 n b
• Hall space group symbol: P -2bc 2a
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1611
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No