Information card for entry 7102918

Structure parameters

• Formula: C39 H32 B Cu F4 N5 P
• Calculated formula: C39 H32 B Cu F4 N5 P
• SMILES: [Cu]1([n]2c3c4[n]1cccc4ccc3ccc2)[P](c1[nH]c2c(c1C)cccc2)(c1[nH]c2c(c1C)cccc2)c1[nH]c2c(c1C)cccc2.[B](F)(F)(F)[F-]
• Title of publication: Tris-2-(3-methylindolyl)phosphine as an anion receptor.
• Authors of publication: Yu, Joanne O; Browning, C Scott; Farrar, David H
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 8
• Pages of publication: 1020 - 1022
• a: 12.1112 ± 0.0004 Å
• b: 12.1741 ± 0.0004 Å
• c: 13.4482 ± 0.0006 Å
• α: 68.866 ± 0.002°
• β: 70.427 ± 0.002°
• γ: 72.803 ± 0.002°
• Cell volume: 1707.76 ± 0.11 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1176
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No