Information card for entry 7057532

Structure parameters

• Formula: C30 H45 I2 N9 O3 Zn
• Calculated formula: C30 H45.042 I2 N9 O3 Zn
• Title of publication: Zinc(ii) complexes with uncommon aminal and hemiaminal ether derivatives: synthesis, structure, phosphatase activity and theoretical rationalization of ligand and complex formation
• Authors of publication: Purkait, Suranjana; Chakraborty, Prateeti; Frontera, Antonio; Bauzá, Antonio; Zangrando, Ennio; Das, Debasis
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 15
• Pages of publication: 12998
• a: 13.802 ± 0.003 Å
• b: 13.802 ± 0.002 Å
• c: 20.08 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3312.7 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1855
• Weighted residual factors for all reflections included in the refinement: 0.1873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No