Information card for entry 1517835

Structure parameters

• Formula: C19 H20.5 Cl N6.5 O7 Zn
• Calculated formula: C19 H20.5 Cl N6.5 O7 Zn
• SMILES: [Zn]12([OH2])(N(N=C(C(=O)OCC)c3[n]2cc[nH]3)c2cccc3c2[n]1ccc3)[N]#CC.N#CC.Cl(=O)(=O)(=O)[O-]
• Title of publication: Regulating signal enhancement with coordination-coupled deprotonation of a hydrazone switch
• Authors of publication: Foy, Justin T.; Ray, Debdas; Aprahamian, Ivan
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 209
• a: 22.782 ± 0.002 Å
• b: 7.5608 ± 0.0008 Å
• c: 26.996 ± 0.003 Å
• α: 90°
• β: 102.942 ± 0.001°
• γ: 90°
• Cell volume: 4531.9 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1222
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No