Information card for entry 4346755

Structure parameters

• Formula: C84 H70 Cl5 Cu3 N8 P6
• Calculated formula: C84 H70 Cl5 Cu3 N8 P6
• Title of publication: Self-Assembled Cyclophane-Type Copper(I) Complexes of 2,4,6-Tris(diphenylphosphino)-1,3,5-triazine and Their Catalytic Application.
• Authors of publication: Ananthnag, Guddekoppa S.; Mague, Joel T.; Balakrishna, Maravanji S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 10985 - 10992
• a: 17.5311 ± 0.0003 Å
• b: 17.5311 ± 0.0003 Å
• c: 23.124 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6154.77 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No