Information card for entry 4307377

Structure parameters

• Chemical name: Iodo-μ-~2~-iodo(μ~2~-(bis(o-methoxyphenyl)phosphino) phenylamine)(κ,κ':N,N'-2,2'bipyridine)dicopper(I)
• Formula: C46 H44 Cu2 I2 N4 O8 P2
• Calculated formula: C46 H44 Cu2 I2 N4 O8 P2
• SMILES: I[Cu]1(I)[Cu]2([P](Oc3c(OC)cccc3)(Oc3c(OC)cccc3)N([P]1(Oc1c(OC)cccc1)Oc1c(OC)cccc1)c1ccccc1)[n]1c(c3[n]2cccc3)cccc1.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: 13.177 ± 0.001 Å
• b: 21.533 ± 0.002 Å
• c: 17.116 ± 0.002 Å
• α: 90°
• β: 98.129 ± 0.001°
• γ: 90°
• Cell volume: 4807.7 ± 0.8 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: 0.0509
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No