Information card for entry 4308353

Structure parameters

• Formula: C28 H33 Cl N4 O8 Zn2
• Calculated formula: C28 H33 Cl N4 O8 Zn2
• SMILES: [Zn]1234[O]=C(C)O[Zn]567([N]8=Cc9cc(cc(C=[N]2CCCC[N]1=Cc1cc(cc(C=[N]6CCCC8)c1[O]45)C)c9[O]37)C).Cl(=O)(=O)(=O)[O-]
• Title of publication: Dinuclear Zinc(II) Complexes of Tetraiminodiphenol Macrocycles and Their Interactions with Carboxylate Anions and Amino Acids. Photoluminescence, Equilibria, and Structure
• Authors of publication: Bula Dutta; Pradip Bag; Ulrich Flörke; Kamalaksha Nag
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 147 - 157
• a: 10.3474 ± 0.0005 Å
• b: 19.772 ± 0.0009 Å
• c: 14.7902 ± 0.0007 Å
• α: 90°
• β: 104.991 ± 0.001°
• γ: 90°
• Cell volume: 2922.9 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0326
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No