Information card for entry 7206794

Structure parameters

• Formula: C26 H52 Cu2 F12 N12 O12 Si2
• Calculated formula: C26 H52 Cu2 F12 N12 O12 Si2
• SMILES: [OH2][Cu]123[NH](Cc4cccc[n]14)C(c1[n]2cc[nH]1)c1[n](cc[nH]1)[Cu]12([OH2])[n]4c(cccc4)C[NH]1C(c1[n]2cc[nH]1)c1[n]3cc[nH]1.O.O.O.O.O.F[Si](F)(F)(F)([F-])[F-].F[Si](F)(F)(F)([F-])[F-].O.O.O.O.O
• Title of publication: Tripodal bis(imidazole)-based ligands and their chelation to copper(ii)
• Authors of publication: Chen, Wei; Chu, Jinfeng; Mutikainen, Ilpo; Reedijk, Jan; Turpeinen, Urho; Song, Yu-Fei
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 24
• Pages of publication: 7299
• a: 26.823 ± 0.004 Å
• b: 8.765 ± 0.002 Å
• c: 20.686 Å
• α: 90 ± 0.003°
• β: 115.94 ± 0.02°
• γ: 90°
• Cell volume: 4373.4 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0746
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No