Information card for entry 7060943

Structure parameters

• Formula: C22 H19 Cl N8 O6 Zn
• Calculated formula: C22 H19 Cl N8 O6 Zn
• SMILES: [Zn]1234([OH]c5c(C=[N]4Nc4[n]2cccn4)cccc5)[O]c2c(C=[N]3Nc3[n]1cccn3)cccc2.Cl(=O)(=O)(=O)[O-]
• Title of publication: Synthesis of an unprecedented H-stitched binuclear crystal structure based on selective fluorescence recognition of Zn2+ in newly synthesized Schiff base ligand with DFT and imaging application in living cells
• Authors of publication: Mati, Soumya Sundar; Konar, Saugata; Samai, Boby
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 39
• Pages of publication: 18459 - 18471
• a: 13.2 ± 0.0004 Å
• b: 13.617 ± 0.0004 Å
• c: 17.2854 ± 0.0006 Å
• α: 94.404 ± 0.002°
• β: 109.64 ± 0.002°
• γ: 101.574 ± 0.002°
• Cell volume: 2831.46 ± 0.16 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: 0.058
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No