Information card for entry 7039304

Structure parameters

• Formula: C66 H68 Cl4 N16 O8 Ru2
• Calculated formula: C66 H68 Cl4 N16 O8 Ru2
• SMILES: C1(=O)NCc2ccc3c4ccc(CNC(=O)NCc5ccc6c7ccc(CN1)c[n]7[Ru]17([n]6c5)([n]5ccccc5c5[n]1cccc5)[n]1ccccc1c1[n]7cccc1)c[n]4[Ru]14([n]3c2)([n]2ccccc2c2[n]1cccc2)[n]1ccccc1c1[n]4cccc1.O.O.O.[Cl-].[Cl-].[Cl-].O.O.O.[Cl-]
• Title of publication: Structural, electrochemical and photophysical properties of an exocyclic di-ruthenium complex and its application as a photosensitizer.
• Authors of publication: Salpage, Sahan R.; Paul, Avishek; Som, Bozumeh; Banerjee, Tanmay; Hanson, Kenneth; Smith, Mark D.; Vannucci, Aaron K.; Shimizu, Linda S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9601 - 9607
• a: 22.283 ± 0.004 Å
• b: 12.976 ± 0.002 Å
• c: 22.649 ± 0.004 Å
• α: 90°
• β: 102.976 ± 0.004°
• γ: 90°
• Cell volume: 6381.6 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.07
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No