Information card for entry 7061832

Structure parameters

• Formula: C18 H14 Cl N O3 Pd
• Calculated formula: C18 H14 Cl N O3 Pd
• SMILES: [Pd]12([N](c3c(O1)ccc(C)c3)=CC1C(=[O]2)c2cc(C)ccc2OC=1)Cl
• Title of publication: A new chromone-based fluorescent probe for ratiometric detection of Pd2+
• Authors of publication: Naskar, Rahul; Gharami, Saswati; Mandal, Subrata; Mondal, Tapan Kumar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 37
• Pages of publication: 17912 - 17917
• a: 6.945 ± 0.0007 Å
• b: 11.0309 ± 0.001 Å
• c: 12.2212 ± 0.0012 Å
• α: 92.607 ± 0.003°
• β: 105.097 ± 0.003°
• γ: 90.21 ± 0.003°
• Cell volume: 902.9 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0876
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No