Information card for entry 4308032

Structure parameters

• Formula: C32 H60 N4 Ni O4 S2
• Calculated formula: C32 H60 N4 Ni O4 S2
• Title of publication: Metalation of Cyclic Pseudopeptidic Thiosulfinates with Ni(II) and Zn(II) after Ring Opening: A Mechanistic Investigation
• Authors of publication: Erwan Galardon; Emilie Bourles; Isabelle Artaud; Jean-Claude Daran; Pascal Roussel; Alain Tomas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4515 - 4522
• a: 16.833 ± 0.004 Å
• b: 11.8 ± 0.002 Å
• c: 19.114 ± 0.004 Å
• α: 90°
• β: 112.602 ± 0.003°
• γ: 90°
• Cell volume: 3505 ± 1.3 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: 0.0652
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No