Information card for entry 4332002

Structure parameters

• Common name: [H(fac-BQA)PtMe2I][BF4]
• Chemical name: [H(fac-BQA)PtMe2I][BF4]
• Formula: C20 H19 B F4 I N3 Pt
• Calculated formula: C20 H19 B F4 I N3 Pt
• SMILES: [B](F)(F)(F)[F-].c1ccc2cccc3c2[n]1[Pt]1([NH]3c2cccc3ccc[n]1c23)(C)(I)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: 13.8342 ± 0.0005 Å
• b: 14.8844 ± 0.0005 Å
• c: 9.9174 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2042.13 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0816
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No