Information card for entry 7034602

Structure parameters

• Formula: C55 H52 Cl6 Cu F6 N2 P3
• Calculated formula: C55 H50 Cl6 Cu F6 N2 P3
• SMILES: [Cu]12([P](c3ccccc3)(c3ccccc3)CC[P]1(c1ccccc1)c1ccccc1)[n]1c(cc(c3ccc4c(cc([n]2c4c13)C)c1ccccc1)c1ccccc1)C.ClCCl.ClCCl.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: 14.1782 ± 0.0005 Å
• b: 14.2519 ± 0.0005 Å
• c: 27.434 ± 0.0011 Å
• α: 90°
• β: 98.546 ± 0.001°
• γ: 90°
• Cell volume: 5481.9 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0574
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No