Information card for entry 7704651

Structure parameters

• Formula: C33.5 H33 Cl2 N5 O7 Ru
• Calculated formula: C33.5 H33 Cl2 N5 O7 Ru
• SMILES: [Ru]1234([N](Cc5cccc[n]45)(Cc4[n]1cccc4)Cc1[n]2cccc1)OC1=CC(=O)C(=CC1=[O]3)Nc1c(cc(cc1C)C)C.Cl(=O)(=O)(=O)[O-].ClCCl
• Title of publication: Dinuclear Ru^II complexes with quinonoid bridges: tuning the electrochemical and spectroscopic properties of redox-switchable NIR dyes through judicious bridge design.
• Authors of publication: Chandra, Shubhadeep; Weisser, Fritz; Klenk, Sinja; Beerhues, Julia; Schweinfurth, David; Sarkar, Biprajit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 24
• Pages of publication: 8354 - 8366
• a: 11.8 ± 0.005 Å
• b: 12.969 ± 0.005 Å
• c: 24.229 ± 0.01 Å
• α: 89.705 ± 0.016°
• β: 76.042 ± 0.011°
• γ: 79.798 ± 0.012°
• Cell volume: 3539 ± 3 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1129
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No