Information card for entry 7027456

Structure parameters

• Common name: 4.(BF4)37H2O72CH2Cl2
• Formula: C72 H56 B3 Cl4 Cu F12 N8 O2 P2 Ru
• Calculated formula: C72 H56 B3 Cl4 Cu F12 N8 O2 P2 Ru
• SMILES: [Ru]123([n]4cc[n]5[Cu]([P](c6ccccc6)(c6ccccc6)c6ccccc6)([P](c6ccccc6)(c6ccccc6)c6ccccc6)[n]6c(c5c4c4[n]1cccc4)cccc6)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[B](F)(F)(F)[F-].C(Cl)Cl.O.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].ClCCl.O
• Title of publication: Structure, spectroscopic and electrochemical properties of novel binuclear ruthenium(II) copper(I) complexes with polypyridyl bridging ligands †
• Authors of publication: Scott, Sonya M.; Gordon, Keith C.; Burrell, Anthony K.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 16
• Pages of publication: 2669
• a: 12.905 ± 0.003 Å
• b: 13.264 ± 0.003 Å
• c: 45.357 ± 0.009 Å
• α: 90°
• β: 94.51 ± 0.03°
• γ: 90°
• Cell volume: 7740 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 10
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1808
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections: 0.2408
• Weighted residual factors for significantly intense reflections: 0.1826
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for significantly intense reflections: 1.216
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No