Information card for entry 7227498

Structure parameters

• Formula: C31 H24 N4 O2 Pd
• Calculated formula: C31 H24 N4 O2 Pd
• SMILES: c12ccccc1cccc2CN1C(=O)c2cccc3C(=O)N(Cc4c5ccccc5ccc4)[Pd]1([n]23)[N]#CC
• Title of publication: Selective fluorescent turn-off sensing of Pd2+ ion: applications as paper strips, polystyrene films, and in cell imaging
• Authors of publication: Kumar, Pramod; Kumar, Vijay; Gupta, Rajeev
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 13
• Pages of publication: 7734
• a: 16.3379 ± 0.0004 Å
• b: 10.9218 ± 0.0003 Å
• c: 15.1158 ± 0.0004 Å
• α: 90°
• β: 106.795 ± 0.003°
• γ: 90°
• Cell volume: 2582.2 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No