Information card for entry 7007676

Structure parameters

• Common name: (1,4-bis(diphenylphosphino)propane)(2,9- dimethylphenanthroline) copper(i) (hexafluorophosphate)
• Chemical name: (1,4-bis(diphenylphosphino)propane)(2,9-dimethylphenanthroline) copper(I) (hexafluorophosphate)
• Formula: C82 H76 Cu2 F12 N4 P6
• Calculated formula: C41 H38 Cu F6 N2 P3
• SMILES: [Cu]12([P](CCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1c(ccc3ccc4ccc([n]2c4c13)C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: A series of luminescent Cu(I) mixed-ligand complexes containing 2,9-dimethyl-1,10-phenanthroline and simple diphosphine ligands.
• Authors of publication: Saito, Ken; Arai, Takashi; Takahashi, Naoki; Tsukuda, Toshiaki; Tsubomura, Taro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 37
• Pages of publication: 4444 - 4448
• a: 17.2378 ± 0.0009 Å
• b: 15.4342 ± 0.0007 Å
• c: 28.7424 ± 0.0014 Å
• α: 90°
• β: 102.727 ± 0.001°
• γ: 90°
• Cell volume: 7459.1 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No