Information card for entry 2202391

Structure parameters

• Chemical name: Di-μ-iodo-bis[(acetonitrile-κN)(triphenylphosphite-κP)copper(I)]
• Formula: C40 H36 Cu2 I2 N2 O6 P2
• Calculated formula: C40 H36 Cu2 I2 N2 O6 P2
• SMILES: c1(ccccc1)O[P](Oc1ccccc1)([Cu]1([N]#CC)[I][Cu]([I]1)([N]#CC)[P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)Oc1ccccc1
• Title of publication: Di-μ-iodo-bis[(acetonitrile-κ<i>N</i>)(triphenylphosphite-κ<i>P</i>)copper(I)]
• Authors of publication: Näther, Christian; Steinhoff, Tobias; Jeß, Inke
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: m1041 - m1043
• a: 9.0239 ± 0.0006 Å
• b: 30.1204 ± 0.0016 Å
• c: 8.422 ± 0.0005 Å
• α: 90°
• β: 112.139 ± 0.007°
• γ: 90°
• Cell volume: 2120.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 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: 0.032
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0656
• 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: Yes