Information card for entry 7014271

Structure parameters

• Formula: C29 H34 Cl2 N6 O9 S Zn
• Calculated formula: C29 H34 Cl2 N6 O9 S Zn
• SMILES: [Zn]123([N]4(Cc5[n]1c(ccc5)NC(=[O]2)C(C)(C)C)CCSCC4)([n]1cccc2c1c1c(cc2)ccc[n]31)OCl(=O)(=O)=O.Cl(=O)(=O)(=O)[O-].N#CC
• Title of publication: Investigating the effect of hydrogen bonding environments in amide cleavage reactions at zinc(II) complexes with intramolecular amide oxygen co-ordination.
• Authors of publication: Mareque Rivas, Juan C.; Salvagni, Emiliano; Parsons, Simon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 24
• Pages of publication: 4185 - 4192
• a: 10.53 ± 0.0006 Å
• b: 12.0767 ± 0.0007 Å
• c: 13.7292 ± 0.0008 Å
• α: 88.641 ± 0.001°
• β: 73.037 ± 0.001°
• γ: 88.069 ± 0.001°
• Cell volume: 1668.83 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No