Information card for entry 4303136

Structure parameters

• Formula: C28 H30 N6 O4 S2 Zn2
• Calculated formula: C28 H30 N6 O4 S2 Zn2
• Title of publication: Metal-Assisted Oxazolidine/Oxazine Ring Formation in Dinuclear Zinc(II) Complexes: Synthesis, Structural Aspects, and Bioactivity
• Authors of publication: Arpita Banerjee; Subhalakshmi Ganguly; Tanmay Chattopadhyay; Kazi Sabnam Banu; Amarendra Patra; Santanu Bhattacharya; Ennio Zangrando; Debasis Das
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 8695 - 8702
• a: 16.513 ± 0.004 Å
• b: 9.849 ± 0.003 Å
• c: 20.199 ± 0.004 Å
• α: 90°
• β: 93.31 ± 0.03°
• γ: 90°
• Cell volume: 3279.6 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 0.829
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No