Information card for entry 4111305

Structure parameters

• Formula: C59 H52 N6 O2 P2 Pt2
• Calculated formula: C59 H52 N6 O2 P2 Pt2
• SMILES: c12ccccc1c1cccc3c4ccnn4[Pt]2([n]13)[P](c1ccccc1)(c1ccccc1)C[P](c1ccccc1)(c1ccccc1)[Pt]12n3c(c4cccc(c5c1cccc5)[n]24)ccn3.C(=O)(C)C.C(=O)(C)C
• 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: 12.3775 ± 0.0009 Å
• b: 16.5897 ± 0.0012 Å
• c: 26.2897 ± 0.0019 Å
• α: 90°
• β: 102.057 ± 0.001°
• γ: 90°
• Cell volume: 5279.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No