Information card for entry 7046062

Structure parameters

• Formula: C72 H63 Cl3 N12 O26 Zn3
• Calculated formula: C72 H63 Cl3 N12 O26 Zn3
• Title of publication: A hexa-quinoline based C₃-symmetric chemosensor for dual sensing of zinc(ii) and PPi in an aqueous medium via chelation induced "OFF-ON-OFF" emission.
• Authors of publication: Sinha, Sanghamitra; Chowdhury, Bijit; Adarsh, Nayarassery N.; Ghosh, Pradyut
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 19
• Pages of publication: 6819 - 6830
• a: 12.002 ± 0.002 Å
• b: 21.828 ± 0.004 Å
• c: 17.522 ± 0.003 Å
• α: 90°
• β: 103.674 ± 0.007°
• γ: 90°
• Cell volume: 4460.3 ± 1.3 ų
• Cell temperature: 106 ± 2 K
• Ambient diffraction temperature: 106 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1673
• Residual factor for significantly intense reflections: 0.1024
• Weighted residual factors for significantly intense reflections: 0.2381
• Weighted residual factors for all reflections included in the refinement: 0.2763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No