Information card for entry 4307378

Structure parameters

• Chemical name: μ-Iodo-μ-(bis(bis(o-methoxyphenoxy)phosphino)phenylamine) -1κP:2κP'-bis(2,2'-bipyridyl)-1κ^2^N,N'; 2κ^2^N,N'- dicopper Iodide Chloroform Solvate
• Formula: C58 H53 Cl12 Cu2 I2 N5 O8 P2
• Calculated formula: C58 H53 Cl12 Cu2 I2 N5 O8 P2
• SMILES: [I]1[Cu]2([P](Oc3ccccc3OC)(Oc3ccccc3OC)N([P]([Cu]31[n]1ccccc1c1[n]3cccc1)(Oc1ccccc1OC)Oc1ccccc1OC)c1ccccc1)[n]1ccccc1c1[n]2cccc1.[I-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Di- and Tetranuclear Copper(I) Complexes Containing Phenylaminobis(phosphonite), PhN{P(OC6H4OMe-o)2}2, and Their Reactivity toward Bipyridyl Ligands
• Authors of publication: Chelladurai Ganesamoorthy; Maravanji S. Balakrishna; Paulose P. George; Joel T. Mague
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 848 - 858
• a: 21.648 ± 0.002 Å
• b: 23.023 ± 0.002 Å
• c: 28.375 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14142 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No