Information card for entry 4346754

Structure parameters

• Formula: C79 H62 Br3 Cl Cu3 N6 P6
• Calculated formula: C79 H62 Br3 Cl Cu3 N6 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: 17.192 ± 0.004 Å
• b: 18.254 ± 0.004 Å
• c: 24.392 ± 0.005 Å
• α: 90°
• β: 101.724 ± 0.003°
• γ: 90°
• Cell volume: 7495 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0906
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No