Information card for entry 4309473

Structure parameters

• Formula: C88 H72 Cl6 Cu2 F12 N4 P6
• Calculated formula: C88 H72 Cl6 Cu2 F12 N4 P6
• SMILES: c1([P](c2ccccc2)([Cu]2([n]3ccccc3c3[n]2cc2[n](c3)[Cu]([n]3ccccc23)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)ccccc1.[P](F)(F)(F)(F)(F)[F-].ClC(Cl)Cl.[P](F)(F)(F)(F)(F)[F-].C(Cl)(Cl)Cl
• Title of publication: Synthesis, Structure, Spectroscopic Properties, and Photochemistry of Homo- and Heteropolynuclear Copper(I) Complexes Bridged by the 2,5-Bis(2-pyridyl)pyrazine Ligand
• Authors of publication: Taro Tsubomura; Shinya Enoto; Shinya Endo; Tsuyoshi Tamane; Kenji Matsumoto; Toshiaki Tsukuda
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6373 - 6378
• a: 13.974 ± 0.002 Å
• b: 13.993 ± 0.002 Å
• c: 13.537 ± 0.002 Å
• α: 101.98 ± 0.01°
• β: 103.22 ± 0.01°
• γ: 113.9 ± 0.01°
• Cell volume: 2217.8 ± 0.6 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.1725
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No