Information card for entry 7014926

Structure parameters

• Common name: Iodo-(2,9-dimethyl-1,10-phenanthroline-N,N')-(tris((4-methylpiperazin-1-yl)methyl) phosphine-P)-copper(I) cyclohexane, dichloromethane, water solvate
• Chemical name: Iodo-(2,9-dimethyl-1,10-phenanthroline-N,N')-(tris((4-methylpiperazin-1-yl)methyl) phosphine-P)-copper(I) cyclohexane, dichloromethane, water solvate
• Formula: C35.78 H62.56 Cl2 Cu I N8 O2 P
• Calculated formula: C35.782 H62.564 Cl2.002 Cu I N8 O2 P
• Title of publication: Structures, electronic properties and solid state luminescence of Cu(I) iodide complexes with 2,9-dimethyl-1,10-phenanthroline and aliphatic aminomethylphosphines or triphenylphosphine
• Authors of publication: Starosta, Radosław; Puchalska, Małgorzata; Cybińska, Joanna; Barys, Maciej; Mudring, Anja V.
• Journal of publication: Dalton Transactions
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 11
• Pages of publication: 2459
• a: 9.864 ± 0.003 Å
• b: 12.77 ± 0.003 Å
• c: 17.926 ± 0.004 Å
• α: 101.9 ± 0.03°
• β: 95.65 ± 0.03°
• γ: 96.1 ± 0.03°
• Cell volume: 2180.1 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No