Information card for entry 7005351

Structure parameters

• Formula: C32 H42 Cu N10 O10 Ru
• Calculated formula: C32 H42 Cu N10 O10 Ru
• SMILES: c1cccc2c3cccc[n]3[Ru]34([n]12)(OC1C(=[N]2[Cu]56[N]=1CCC[NH]5CC[NH]6CCC2)O4)[n]1ccccc1c1cccc[n]31.N(=O)(=O)[O-].CO.N(=O)(=O)[O-].CO
• Title of publication: Binuclear and trinuclear complexes of exoO(2)-cyclam.
• Authors of publication: White, Vivienne A.; Johnstone, Russell D. L.; McCall, Keri L.; Long, Nicholas J.; Slawin, Alexandra M. Z.; Robertson, Neil
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 27
• Pages of publication: 2942 - 2948
• a: 17.399 ± 0.005 Å
• b: 13.501 ± 0.004 Å
• c: 14.678 ± 0.005 Å
• α: 90°
• β: 90.611 ± 0.015°
• γ: 90°
• Cell volume: 3447.7 ± 1.8 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• 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: 0.1089
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections: 0.1016
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0608
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No