Information card for entry 2010085

Structure parameters

• Chemical name: tris(trimethylphenylammonium) hexaiodotricuprate(I)
• Formula: C27 H42 Cu3 I6 N3
• Calculated formula: C23.5 H42 Cu2.5 I4 N2.5
• Title of publication: Tris(trimethylphenylammonium) hexaiodotricuprate(I)
• Authors of publication: Hu, Guozhi; Holt, Elizabeth M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 10
• Pages of publication: 1576 - 1578
• a: 26.364 ± 0.002 Å
• b: 15.055 ± 0.002 Å
• c: 10.027 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3979.8 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.0446
• Goodness-of-fit parameter for significantly intense reflections: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No