Information card for entry 4070454

Structure parameters

• Common name: Gandelman-26
• Formula: C40 H35 Cl N3 O P2 Pt
• Calculated formula: C40 H35 Cl N3 O P2 Pt
• SMILES: [Pt]12(c3n(nnc3C[P]2(c2ccccc2)c2ccccc2)C[P]1(c1ccccc1)c1ccccc1)Cl.c1(ccccc1)[O-].c1ccccc1
• 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: 10.515 ± 0.002 Å
• b: 9.491 ± 0.002 Å
• c: 19.317 ± 0.004 Å
• α: 90°
• β: 94.02 ± 0.04°
• γ: 90°
• Cell volume: 1923.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1494
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.1978
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No