Information card for entry 7021299

Structure parameters

• Formula: C26 H23 N3 O8 S Zn
• Calculated formula: C26 H23 N3 O8 S Zn
• SMILES: [Zn]12([n]3ccc(cc3c3[n]1ccc(c3)CO)CO)(N1S(=O)(=O)c3c(C1=O)cccc3)OC1=CC=CC=CC1=[O]2.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: 9.3725 ± 0.0015 Å
• b: 9.8002 ± 0.0015 Å
• c: 15.568 ± 0.002 Å
• α: 78.243 ± 0.007°
• β: 76.235 ± 0.007°
• γ: 73.493 ± 0.007°
• Cell volume: 1317.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0566
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1249
• 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