Information card for entry 7007984

Structure parameters

• Chemical name: [(2,2'-Bipyridine)(4,5-diphenylimidazole)(2,2':6',2''-terpyridine)- ruthenium(II)]bis(hexafluorophosphate).methanol
• Formula: C41 H35 F12 N7 O P2 Ru
• Calculated formula: C41 H35 F12 N7 O P2 Ru
• SMILES: [Ru]123([n]4ccccc4c4[n]1c(ccc4)c1[n]2cccc1)([n]1ccccc1c1[n]3cccc1)[n]1c[nH]c(c1c1ccccc1)c1ccccc1.CO.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: From model compounds to protein binding: syntheses, characterizations and fluorescence studies of [RuII(bipy)(terpy)L]2+ complexes (bipy = 2,2'-bipyridine; terpy = 2,2':6',2''-terpyridine; L = imidazole, pyrazole and derivatives, cytochrome c).
• Authors of publication: Yang, Xiao-Juan; Drepper, Friedrich; Wu, Biao; Sun, Wen-Hua; Haehnel, Wolfgang; Janiak, Christoph
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 2
• Pages of publication: 256 - 267
• a: 18.9571 ± 0.0012 Å
• b: 13.732 ± 0.0009 Å
• c: 17.7831 ± 0.0011 Å
• α: 90°
• β: 115.765 ± 0.001°
• γ: 90°
• Cell volume: 4169.1 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No