Information card for entry 7124978

Structure parameters

• Formula: C25 H25 Cl Hg N2 O3
• Calculated formula: C25 H25 Cl Hg N2 O3
• Title of publication: Accelerated hydration reaction of an unsymmetrical tolan evidenced by a Hg(ii)-trapped macrocycle and its application as a Hg(ii)-selective indicator.
• Authors of publication: Hong, Jung-Ho; Kurapati, Sathish; Jo, Yunhee; Shin, June-Ho; Cho, Dong-Gyu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 71
• Pages of publication: 10759 - 10762
• a: 9.4629 ± 0.0002 Å
• b: 11.35 ± 0.0002 Å
• c: 12.3473 ± 0.0003 Å
• α: 103.843 ± 0.001°
• β: 109.616 ± 0.001°
• γ: 99.745 ± 0.001°
• Cell volume: 1166.87 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0259
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No