Information card for entry 4307373

Structure parameters

• Chemical name: Bis(acetonitrile)di(μ~2~-iodo)(μ~2~-bis(bis(o- methoxyphenyl)phosphino)phenylamine)dicopper(I) acetonitrile solvate
• Formula: C40 H42 Cu2 I2 N4 O8 P2
• Calculated formula: C40 H42 Cu2 I2 N4 O8 P2
• SMILES: [I]1[Cu]23([I][Cu]12([P](Oc1ccccc1OC)(Oc1ccccc1OC)N([P]3(Oc1ccccc1OC)Oc1ccccc1OC)c1ccccc1)[N]#CC)[N]#CC.N#CC
• 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: 21.358 ± 0.002 Å
• b: 18.497 ± 0.001 Å
• c: 22.614 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8933.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0433
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No