Information card for entry 4316901

Structure parameters

• Formula: C36 H42 F12 N4 P2 Pt
• Calculated formula: C36 H42 F12 N4 P2 Pt
• SMILES: [Pt]1([n]2c3c4[n]1cccc4ccc3ccc2)(c1ccccc1C[NH+]1CCCCC1)c1ccccc1C[NH+]1CCCCC1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Intramolecular NH...Pt Interactions of Platinum(II) Diimine Complexes with Phenyl Ligands
• Authors of publication: Sayandev Chatterjee; Jeanette A. Krause; Allen G. Oliver; William B. Connick
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9798 - 9808
• a: 10.6423 ± 0.0002 Å
• b: 12.2067 ± 0.0002 Å
• c: 15.9387 ± 0.0003 Å
• α: 86.019 ± 0.001°
• β: 71.343 ± 0.001°
• γ: 72.672 ± 0.001°
• Cell volume: 1871.95 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No