Information card for entry 7035609

Structure parameters

• Formula: C54 H46 Cu O P3
• Calculated formula: C54 H46 Cu O P3
• Title of publication: Alkynyl triphosphine copper complexes: synthesis and photophysical studies.
• Authors of publication: Chakkaradhari, Gomathy; Belyaev, Andrey A.; Karttunen, Antti J.; Sivchik, Vasily; Tunik, Sergey P.; Koshevoy, Igor O.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 29
• Pages of publication: 13294 - 13304
• a: 22.6315 ± 0.0014 Å
• b: 16.7911 ± 0.001 Å
• c: 26.0313 ± 0.0017 Å
• α: 90°
• β: 91.691 ± 0.003°
• γ: 90°
• Cell volume: 9887.8 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0819
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No