Information card for entry 7029825

Structure parameters

• Formula: C24 H18 K N3
• Calculated formula: C24 H18 K N3
• SMILES: c1cc(ccc1)[N-]c1ccccc1.[K+].n1c2c3ncccc3ccc2ccc1
• Title of publication: Reactivity of [K3(phen)8][Cu(NPh2)2]3-a possible intermediate in the copper(i)-catalyzed N-arylation of N-phenylaniline.
• Authors of publication: Tseng, Chia-Kai; Lee, Chi-Rung; Tseng, Mei-Chun; Han, Chien-Chung; Shyu, Shin-Guang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 19
• Pages of publication: 7020 - 7027
• a: 7.563 ± 0.0002 Å
• b: 18.4368 ± 0.0006 Å
• c: 27.0336 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3769.5 ± 0.19 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No