Information card for entry 4346752

Structure parameters

• Chemical name: Tris(diphenylphosphanyl)-1,3,5-triazine
• Formula: C39 H30 N3 P3
• Calculated formula: C39 H30 N3 P3
• SMILES: P(c1nc(P(c2ccccc2)c2ccccc2)nc(P(c2ccccc2)c2ccccc2)n1)(c1ccccc1)c1ccccc1
• 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: 10.2469 ± 0.0002 Å
• b: 13.8978 ± 0.0003 Å
• c: 23.3456 ± 0.0004 Å
• α: 89.79 ± 0.001°
• β: 79.542 ± 0.001°
• γ: 84.91 ± 0.001°
• Cell volume: 3256.25 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No