Information card for entry 4111304

Structure parameters

• Formula: C59 H51 Cl2 N9 O8 P2 Pt2
• Calculated formula: C59 H51 Cl2 N9 O8 P2 Pt2
• SMILES: c12ccccc1c1cccc3c4cc[nH][n]4[Pt]42([n]13)[P](c1ccccc1)(c1ccccc1)C[P](c1ccccc1)(c1ccccc1)[Pt]124[n]3c(c4cccc(c5c1cccc5)[n]24)cc[nH]3.CC#N.CC#N.CC#N.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: A "Molecular Pivot-Hinge" Based on the pH-Regulated Intramolecular Switching of Pt-Pt and π-π Interactions
• Authors of publication: Chi-Kin Koo; Benny Lam; Sze-Kar Leung; Michael Hon-Wah Lam; Wai-Yeung Wong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 16434 - 16435
• a: 13.0285 ± 0.0017 Å
• b: 13.5119 ± 0.0018 Å
• c: 17.081 ± 0.002 Å
• α: 91.075 ± 0.002°
• β: 104.632 ± 0.002°
• γ: 100.299 ± 0.002°
• Cell volume: 2856.1 ± 0.6 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: 0.0534
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No