Information card for entry 7053410

Structure parameters

• Common name: Iodo-(1,10-phenanthroline-N,N')-(tris((4-methylpiperazin-1-yl)methyl) phosphine-P)-copper(I) toluene solvate
• Chemical name: Iodo-(1,10-phenanthroline-N,N')-(tris((4-methylpiperazin-1-yl)methyl) phosphine-P)-copper(I) toluene solvate
• Formula: C37 H55 Cu I N8 P
• Calculated formula: C37 H55 Cu I N8 P
• SMILES: [Cu]1(I)([P](CN2CCN(CC2)C)(CN2CCN(CC2)C)CN2CCN(CC2)C)[n]2cccc3ccc4ccc[n]1c4c23.c1(ccccc1)C
• Title of publication: Copper(I) iodide complexes containing new aliphatic aminophosphine ligands and diimines—luminescent properties and antibacterial activity
• Authors of publication: Starosta, Radosław; Florek, Magdalena; Król, Jarosław; Puchalska, Małgorzata; Kochel, Andrzej
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 1441
• a: 12.799 ± 0.003 Å
• b: 18.4 ± 0.004 Å
• c: 19.828 ± 0.003 Å
• α: 64.78 ± 0.04°
• β: 71.94 ± 0.05°
• γ: 86.62 ± 0.03°
• Cell volume: 4002 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1518
• Residual factor for significantly intense reflections: 0.0984
• Weighted residual factors for significantly intense reflections: 0.2529
• Weighted residual factors for all reflections included in the refinement: 0.2704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No