Information card for entry 7021296

Structure parameters

• Formula: C19 H19 Cl N2 O5 Zn
• Calculated formula: C19 H19 Cl N2 O5 Zn
• SMILES: [Zn]12(Cl)([O]=C3C=CC=CC=C3O1)[n]1ccc(cc1c1[n]2ccc(c1)CO)CO.O
• Title of publication: Non-classical anticancer agents: on the way to water soluble zinc(ii) heteroleptic complexes.
• Authors of publication: Mendiguchia, Barbara Sanz; Pucci, Daniela; Mastropietro, Teresa F.; Ghedini, Mauro; Crispini, Alessandra
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 19
• Pages of publication: 6768 - 6774
• a: 10.467 ± 0.002 Å
• b: 9.202 ± 0.002 Å
• c: 19.691 ± 0.005 Å
• α: 90°
• β: 90.412 ± 0.007°
• γ: 90°
• Cell volume: 1896.5 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No