Information card for entry 7036339

Structure parameters

• Formula: C34 H27 Cu I N2 P
• Calculated formula: C34 H27 Cu I N2 P
• SMILES: [Cu]1(I)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2ccccc2c2ccc(c[n]12)c1ccccc1
• Title of publication: Luminescent mononuclear mixed ligand complexes of copper(i) with 5-phenyl-2,2'-bipyridine and triphenylphosphine.
• Authors of publication: Safin, Damir A.; Mitoraj, Mariusz P.; Robeyns, Koen; Filinchuk, Yaroslav; Vande Velde, Christophe M. L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 38
• Pages of publication: 16824 - 16832
• a: 9.3666 ± 0.0003 Å
• b: 10.2614 ± 0.0003 Å
• c: 30.1047 ± 0.0011 Å
• α: 90°
• β: 93.907 ± 0.003°
• γ: 90°
• Cell volume: 2886.77 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No