Information card for entry 1558885

Structure parameters

• Formula: C22 H18 N6 Pt
• Calculated formula: C22 H18 N6 Pt
• SMILES: c1cccc2[n]1[Pt]1([N](c3ccccc3)=N2)[n]2ccccc2N=[N]1c1ccccc1
• Title of publication: Size-selective Pt siderophores based on redox active azo-aromatic ligands
• Authors of publication: Sengupta, Debabrata; Goswami, Sreetosh; Banerjee, Rajdeep; Guberman-Pfeffer, Matthew J.; Patra, Abhijeet; Dutta, Anirban; Pramanick, Rajib; Narasimhan, Shobhana; Pradhan, Narayan; Batista, Victor; Venkatesan, T.; Goswami, Sreebrata
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 9.8643 ± 0.0019 Å
• b: 9.9442 ± 0.0019 Å
• c: 10.655 ± 0.002 Å
• α: 90°
• β: 112.053 ± 0.004°
• γ: 90°
• Cell volume: 968.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0294
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No