Information card for entry 4070457

Structure parameters

• Common name: Gandelman-48(Yael-295)
• Formula: C23 H33 Cl5 N3 P Pt S
• Calculated formula: C23 H33 Cl5 N3 P Pt S
• SMILES: [Pt]1([P](Cc2[n]1nn(c2)CSc1ccccc1)(C1CCCCC1)C1CCCCC1)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Versatile, Selective, and Switchable Coordination Modes of Pincer Click Ligands
• Authors of publication: Schuster, Elaine M.; Botoshansky, Mark; Gandelman, Mark
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 24
• Pages of publication: 7001
• a: 14.314 ± 0.003 Å
• b: 15.214 ± 0.003 Å
• c: 15.413 ± 0.003 Å
• α: 70.88 ± 0.03°
• β: 77.17 ± 0.03°
• γ: 73.02 ± 0.03°
• Cell volume: 3003.3 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.803
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No