Information card for entry 4320584

Structure parameters

• Formula: C16 H31 Cl2 N9 O9 Zn2
• Calculated formula: C16 H31 Cl2 N9 O9 Zn2
• SMILES: c12c3cccc2C[N]24CC[NH2][Zn]54([N]([Zn]46([N](C3)(CC[NH2]4)CC[NH2]6)[O]15)=N#N)[NH2]CC2.[O-]Cl(=O)(=O)=O.[O-]Cl(=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: 14.46 ± 0.003 Å
• b: 12.814 ± 0.003 Å
• c: 14.875 ± 0.003 Å
• α: 90°
• β: 105.35 ± 0.02°
• γ: 90°
• Cell volume: 2657.9 ± 1 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1585
• Weighted residual factors for all reflections included in the refinement: 0.1806
• Goodness-of-fit parameter for all reflections included in the refinement: 0.629
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No