Information card for entry 4345814

Structure parameters

• Formula: C104 H108 Cu2 F12 N24 O18 S4
• Calculated formula: C104 H108 Cu2 F12 N24 O18 S4
• SMILES: c12c(cc(C)cc1)n1Cc3ccccc3Cn3n[n](c4c3cc(cc4)C)[Cu]34([n]5c6c(n(Cc7c(Cn8n[n](c9ccc(C)cc89)[Cu]([n]2n1)([OH2])([n]1nn(Cc2c(Cn8c9c(ccc(c9)C)n3[n]8)cccc2)c2c1ccc(C)c2)[n]1c2c(cc(C)cc2)n(Cc2c(Cn3n[n]4c4ccc(C)cc34)cccc2)n1)cccc7)n5)cc(C)cc6)[OH2].FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].O=C(C)C.O=C(C)C.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].O=C(C)C.O=C(C)C
• Title of publication: Cu(II) Coordination Polymers as Vehicles in the A(3) Coupling.
• Authors of publication: Loukopoulos, Edward; Kallitsakis, Michael; Tsoureas, Nikolaos; Abdul-Sada, Alaa; Chilton, Nicholas F.; Lykakis, Ioannis N.; Kostakis, George E.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 4898 - 4910
• a: 21.7957 ± 0.0011 Å
• b: 22.4426 ± 0.001 Å
• c: 27.7251 ± 0.0019 Å
• α: 90°
• β: 110.418 ± 0.006°
• γ: 90°
• Cell volume: 12709.7 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1926
• Residual factor for significantly intense reflections: 0.0986
• Weighted residual factors for significantly intense reflections: 0.2552
• Weighted residual factors for all reflections included in the refinement: 0.3142
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No