Information card for entry 1573291

Structure parameters

• Formula: C42 H42 Cl2 P2 Pt
• Calculated formula: C42 H42 Cl2 P2 Pt
• SMILES: c12cc3ccccc3cc2[P]([Pt]([P]1(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)(Cl)Cl)(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C
• Title of publication: Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.
• Authors of publication: Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 255 - 279
• a: 16.5978 ± 0.0013 Å
• b: 19.5096 ± 0.0013 Å
• c: 18.9329 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6130.8 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No