Information card for entry 4082186

Structure parameters

• Formula: C54 H45 Cl3 Cu N10 O13 Ru
• Calculated formula: C54 H45 Cl3 Cu N10 O13 Ru
• SMILES: [Ru]1234([n]5c(c6[n]1cccc6)cc(cc5c1[n]3cccc1)c1ccc(cc1)C)[n]1c(c3cc(NC5=[O][Cu]67([N](C5)(Cc5[n]6cccc5)Cc5[n]7cccc5)[N]#CC)cc(c5[n]2cccc5)c43)cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Stepwise Coordination Followed by Oxidation Mechanism for the Multichannel Detection of Cu2+in an Aqueous Environment
• Authors of publication: Gong, Zhong-Liang; Zhong, Yu-Wu
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 24
• Pages of publication: 7495
• a: 12.094 ± 0.002 Å
• b: 13.575 ± 0.003 Å
• c: 21.239 ± 0.004 Å
• α: 92.92 ± 0.03°
• β: 98.09 ± 0.03°
• γ: 113.9 ± 0.03°
• Cell volume: 3133.7 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2177
• Residual factor for significantly intense reflections: 0.1651
• Weighted residual factors for significantly intense reflections: 0.3825
• Weighted residual factors for all reflections included in the refinement: 0.4162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.723
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No