Information card for entry 7040988

Structure parameters

• Chemical name: Bis(1,4,5,8-tetraazaphenanthrene)(3-methyl-pyrazino[2,3-h]dipyrido[3,2-a:2?,3?-c]phenazine)ruthenium(II) chloride
• Formula: C41 H24 Cl2 N14 Ru
• Calculated formula: C41 H23.5 Cl2 N14 Ru
• SMILES: [Ru]123([n]4cccc5c6nc7c(nc6c6c([n]1ccc6)c45)c1ncc(nc1cc7)C)([n]1c4c5[n]2ccnc5ccc4ncc1)[n]1c2c(ncc1)ccc1c2[n]3ccn1.[Cl-].[Cl-]
• Title of publication: Luminescent ruthenium polypyridyl complexes with extended 'dppz' like ligands as DNA targeting binders and cellular agents.
• Authors of publication: Poulsen, Bjørn C; Estalayo-Adrián, Sandra; Blasco, Salvador; Bright, Sandra A.; Kelly, John M.; Williams, D. Clive; Gunnlaugsson, Thorfinnur
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 45
• Pages of publication: 18208 - 18220
• a: 13.41 ± 0.05 Å
• b: 20.75 ± 0.07 Å
• c: 21.49 ± 0.08 Å
• α: 63.55 ± 0.06°
• β: 80.88 ± 0.06°
• γ: 88.05 ± 0.06°
• Cell volume: 5282 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2165
• Residual factor for significantly intense reflections: 0.0992
• Weighted residual factors for significantly intense reflections: 0.2605
• Weighted residual factors for all reflections included in the refinement: 0.3361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No