Information card for entry 4302020

Structure parameters

• Chemical name: Diiodobis(μ-iodo)[μ-{1,4-Bis[bis(bis(o-methoxyphenoxy) phosphino)amino]benzene-1κP;2κP';3κP";4κP'"}]bis(1,10- phenanthroline)tetracopper(I) Acetonitrile Solvate
• Formula: C90 H82 Cu4 I4 N8 O16 P4
• Calculated formula: C90 H82 Cu4 I4 N8 O16 P4
• SMILES: [I]1[Cu](I)[P](N(c2ccc(N3[P](Oc4ccccc4OC)(Oc4ccccc4OC)[Cu]4([I][Cu](I)[P]3(Oc3ccccc3OC)Oc3ccccc3OC)[n]3cccc5c3c3[n]4cccc3cc5)cc2)[P](Oc2ccccc2OC)(Oc2ccccc2OC)[Cu]21[n]1cccc3c1c1[n]2cccc1cc3)(Oc1ccccc1OC)Oc1ccccc1OC.N#CC.N#CC
• Title of publication: Group 11 Metal Chemistry of a Tetradentate Ligand, Phenylene-1,4-diaminotetra(phosphonite), p-C6H4[N{P(OC6H4OMe-o)2}2]2
• Authors of publication: Chelladurai Ganesamoorthy; Maravanji S. Balakrishna; Joel T. Mague
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 3768 - 3782
• a: 11.5637 ± 0.0006 Å
• b: 24.811 ± 0.001 Å
• c: 17.2689 ± 0.0008 Å
• α: 90°
• β: 108.182 ± 0.001°
• γ: 90°
• Cell volume: 4707.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0402
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No