Information card for entry 7034601

Structure parameters

• Formula: C58 H58 Cl2 Cu F6 N2 O P3
• Calculated formula: C54 H48 Cl2 Cu F6 N2 P3
• SMILES: [Cu]12([P](CCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1c(cc(c3ccc4c(cc([n]2c4c13)C)c1ccccc1)c1ccccc1)C.ClCCl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Structures and photophysical properties of copper(i) complexes bearing diphenylphenanthroline and bis(diphenylphosphino)alkane: the effect of phenyl groups on the phenanthroline ligand.
• Authors of publication: Tsubomura, Taro; Kimura, Kaoru; Nishikawa, Michihiro; Tsukuda, Toshiaki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 16
• Pages of publication: 7554 - 7562
• a: 15.0944 ± 0.0005 Å
• b: 14.0094 ± 0.0005 Å
• c: 27.2965 ± 0.0011 Å
• α: 90°
• β: 93.504 ± 0.001°
• γ: 90°
• Cell volume: 5761.4 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 8
• 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: 0.09
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.2906
• Weighted residual factors for all reflections included in the refinement: 0.3021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No