Information card for entry 7051720

Structure parameters

• Formula: C35 H23.5 Cl2 N14.5 O8 Zn
• Calculated formula: C35 H23.5 Cl2 N14.5 O8 Zn
• Title of publication: [1,2,3]Triazolo[1,5-a]pyridine derivatives as molecular chemosensors for zinc(ii), nitrite and cyanide anions
• Authors of publication: Ballesteros-Garrido, Rafael; Abarca, Belén; Ballesteros, Rafael; Ramírez de Arellano, Carmen; Leroux, Frédéric R.; Colobert, Françoise; García-España, Enrique
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 10
• Pages of publication: 2102
• a: 12.045 ± 0.002 Å
• b: 26.99 ± 0.005 Å
• c: 11.652 ± 0.002 Å
• α: 90°
• β: 103.01 ± 0.03°
• γ: 90°
• Cell volume: 3690.8 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1237
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No