Information card for entry 7052918

Structure parameters

• Chemical name: isothiocyanato-(2,9-dimetyl-1,10-phenanthroline-N,N')- (tris(thiomorpholinomethyl) phosphine-P)-copper(i)
• Formula: C30 H42 Cu N6 P S4
• Calculated formula: C30 H42 Cu N6 P S4
• SMILES: [Cu]1(N=C=S)([P](CN2CCSCC2)(CN2CCSCC2)CN2CCSCC2)[n]2c(ccc3ccc4ccc([n]1c4c23)C)C
• 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: 9.313 ± 0.001 Å
• b: 13.258 ± 0.005 Å
• c: 14.436 ± 0.002 Å
• α: 87.45 ± 0.01°
• β: 84.99 ± 0.01°
• γ: 71.36 ± 0.02°
• Cell volume: 1682.2 ± 0.7 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: 0.1647
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 0.809
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No