Information card for entry 4332000

Structure parameters

• Common name: (mer-BQA)PtMe2I
• Chemical name: (mer-BQA)PtMe2I
• Formula: C20 H18 I N3 Pt
• Calculated formula: C20 H18 I N3 Pt
• SMILES: [Pt]12(I)([n]3cccc4cccc(N1c1cccc5ccc[n]2c15)c34)(C)C
• Title of publication: Unexpected Photoisomerization of a Pincer-type Amido Ligand Leads to Facial Coordination at Pt(IV)
• Authors of publication: Harkins, Seth B.; Peters, Jonas C.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4316 - 4318
• a: 8.0242 ± 0.001 Å
• b: 15.578 ± 0.002 Å
• c: 14.3744 ± 0.0018 Å
• α: 90°
• β: 90.799 ± 0.002°
• γ: 90°
• Cell volume: 1796.6 ± 0.4 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.339
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No