Information card for entry 4328900

Structure parameters

• Formula: C30 H37 F12 I N4 P2 Pt
• Calculated formula: C30 H37 F12 I N4 P2 Pt
• SMILES: [Pt]1([n]2c3c4[n]1cccc4ccc3ccc2)(I)c1c(cccc1C[NH+]1CCCCC1)C[NH+]1CCCCC1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Platinum(II) Diimine Complexes with Halide/Pseudohalide Ligands and Dangling Trialkylamine or Ammonium Groups
• Authors of publication: Sayandev Chatterjee; Jeanette A. Krause; Kumudu Madduma-Liyanage; William B. Connick
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4572 - 4587
• a: 24.886 ± 0.003 Å
• b: 8.0909 ± 0.001 Å
• c: 35.751 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7198.5 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No