Information card for entry 2009156

Structure parameters

• Formula: C14 H16 F12 N4 P2 Pt
• Calculated formula: C14 H16 F12 N4 P2 Pt
• SMILES: c1ccc2ccc3ccc[n]4[Pt]5([n]1c2c34)[NH2]CC[NH2]5.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Anion-controlled π-stacks of (ethylenediamine-<i>N</i>,<i>N</i>')(1,10-phenanthroline-<i>N</i>,<i>N</i>')platinum(II)
• Authors of publication: Kato, Masako; Takahashi, Junko
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 1809 - 1812
• a: 7.483 ± 0.004 Å
• b: 15.061 ± 0.004 Å
• c: 18.836 ± 0.005 Å
• α: 90°
• β: 99.7 ± 0.04°
• γ: 90°
• Cell volume: 2092.5 ± 1.4 ų
• Cell temperature: 295.2 K
• Ambient diffraction temperature: 295.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections: 0.669
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections: 5.962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.306
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No