Information card for entry 4120673

Structure parameters

• Formula: C24 H26 B F4 N5 Pt
• Calculated formula: C24 H26 B F4 N5 Pt
• SMILES: [Pt]12(c3c(c4[n]1cccc4)cccc3)[n]1ccccc1c1cn(n[n]21)CCCCCC.[B](F)(F)(F)[F-]
• Title of publication: Columnar Liquid Crystallinity and Mechanochromism in Cationic Platinum(II) Complexes.
• Authors of publication: Krikorian, Markrete; Liu, Shuang; Swager, Timothy M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 8
• Pages of publication: 2952
• a: 14.6099 ± 0.0007 Å
• b: 7.1043 ± 0.0003 Å
• c: 22.2579 ± 0.001 Å
• α: 90°
• β: 95.823 ± 0.003°
• γ: 90°
• Cell volume: 2298.3 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1166
• Residual factor for significantly intense reflections: 0.0938
• Weighted residual factors for significantly intense reflections: 0.2349
• Weighted residual factors for all reflections included in the refinement: 0.2535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No