Information card for entry 7052916

Structure parameters

• Common name: iodo-(2,9-dimetyl-1,10-phenanthroline-N,N')- (tris(thiomorpholinomethyl) phosphine-P)-copper(i) hydrate
• Chemical name: iodo-(2,9-dimetyl-1,10-phenanthroline-N,N')-(tris(thiomorpholinomethyl) phosphine-P)-copper(i) hydrate
• Formula: C29 H42.4 Cu I N5 O0.2 P S3
• Calculated formula: C29 H42 Cu I N5 O0.2 P S3
• Title of publication: Solid state luminescence of copper(i) (pseudo)halide complexes with neocuproine and aminomethylphosphanes derived from morpholine and thiomorpholine
• Authors of publication: Starosta, Radosław; Komarnicka, Urszula K.; Puchalska, Małgorzata; Barys, Maciej
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 8
• Pages of publication: 1673
• a: 11.277 ± 0.001 Å
• b: 15.661 ± 0.001 Å
• c: 19.109 ± 0.002 Å
• α: 90°
• β: 96.66 ± 0.01°
• γ: 90°
• Cell volume: 3352 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0501
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No