Information card for entry 7002144

Structure parameters

• Common name: Bis(2,2'-bipyridine-4,4'-di(methyl propionate) (NCS)2 Ru(ii)
• Chemical name: Bis(2,2'-bipyridine-4,4'-di(methyl propionate) (NCS)2 Ru(II)
• Formula: C38 H40 N6 O8 Ru S2
• Calculated formula: C38 H40 N6 O8 Ru S2
• SMILES: C(=N[Ru]12(N=C=S)([n]3ccc(cc3c3cc(cc[n]13)CCC(=O)OC)CCC(=O)OC)[n]1ccc(cc1c1cc(cc[n]21)CCC(=O)OC)CCC(=O)OC)=S
• Title of publication: Effect of methylene spacers on the spectral, electrochemical, and structural properties of bis(4,4′-disubstituted-2,2′-bipyridyl) ruthenium(ii) dye analogues
• Authors of publication: Lense, Sheri; Hardcastle, Kenneth I.; MacBeth, Cora E.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 36
• Pages of publication: 7396 - 7401
• a: 29.507 ± 0.003 Å
• b: 15.487 ± 0.002 Å
• c: 17.678 ± 0.002 Å
• α: 90°
• β: 106.297 ± 0.005°
• γ: 90°
• Cell volume: 7753.8 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1172
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No