Information card for entry 4302468

Structure parameters

• Formula: C8 H15.5 Br Cl0.5 N3 O2.5 Zn
• Calculated formula: C8 H3.5 Br Cl0.5 N3 O2.5 Zn
• Title of publication: Phosphates Sensing: Two Polyamino-Phenolic Zinc Receptors Able to Discriminate and Signal Phosphates in Water
• Authors of publication: Gianluca Ambrosi; Mauro Formica; Vieri Fusi; Luca Giorgi; Annalisa Guerri; Eleonora Macedi; Mauro Micheloni; Paola Paoli; Roberto Pontellini; Patrizia Rossi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 5901 - 5912
• a: 10.692 ± 0.002 Å
• b: 10.374 ± 0.002 Å
• c: 11.321 ± 0.002 Å
• α: 90°
• β: 98.33 ± 0.01°
• γ: 90°
• Cell volume: 1242.5 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• 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: 0.1129
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1884
• Weighted residual factors for all reflections included in the refinement: 0.2202
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No