Information card for entry 2235672

Structure parameters

• Chemical name: [(μ~2~-2,2'-Bipyrimidine)diiodidobis(triphenylphosphane)dicopper(I) dimethylformamide] disolvate
• Formula: C50 H50 Cu2 I2 N6 O2 P2
• Calculated formula: C50 H50 Cu2 I2 N6 O2 P2
• SMILES: c1[n]2[Cu]([P](c3ccccc3)(c3ccccc3)c3ccccc3)(I)[n]3c4c2[n](cc1)[Cu](I)([n]4ccc3)[P](c1ccccc1)(c1ccccc1)c1ccccc1.N(C=O)(C)C.N(C=O)(C)C
• Title of publication: μ-2,2'-Bipyrimidine-κ^4^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^3^,<i>N</i>^3'^-bis[iodido(triphenylphosphane-κ<i>P</i>)copper(I)] dimethylformamide disolvate
• Authors of publication: Fettouhi, Mohammed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m1003
• a: 9.2436 ± 0.0005 Å
• b: 14.0911 ± 0.0008 Å
• c: 20.1932 ± 0.0011 Å
• α: 90°
• β: 92.232 ± 0.001°
• γ: 90°
• Cell volume: 2628.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0694
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes