Information card for entry 4119089

Structure parameters

• Formula: C25 H40 Br N P2 Pt
• Calculated formula: C25 H40 Br N P2 Pt
• SMILES: [Pt]1([P](CC)(CC)CC)([P](CC)(CC)CC)[CH](c2ccc(Br)cc2)=[CH]1c1ccncc1
• Title of publication: Platinum Stilbazoles: Ring-Walking Coupled with Aryl−Halide Bond Activation
• Authors of publication: Strawser, David; Karton, Amir; Zenkina, Olena V.; Iron, Mark A.; Shimon, Linda J. W.; Martin, Jan M. L.; van der Boom, Milko E.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Journal issue: 26
• Pages of publication: 9322 - 9323
• a: 8.472 ± 0.0017 Å
• b: 31.716 ± 0.006 Å
• c: 10.229 ± 0.002 Å
• α: 90°
• β: 95.32 ± 0.03°
• γ: 90°
• Cell volume: 2736.7 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0416
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No