Information card for entry 4336961

Structure parameters

• Formula: C83 H54 Cl2 N10 O9 Ru
• Calculated formula: C83 H54 Cl2 N10 O9 Ru
• SMILES: [Ru]1234([n]5c(c6[n]2c(cc(c2ccc(c7nc8c([nH]7)c7c9c%10c8cccc%10ccc9ccc7)cc2)c6)c2[n]1cccc2)cccc5)[n]1c(c2[n]4cccc2)cc(c2ccc(c4nc5c6c7c8c(c5[nH]4)cccc8ccc7ccc6)cc2)cc1c1[n]3cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].c1(ccccc1)C.O
• Title of publication: Ru(II) and Os(II) Complexes Based on Terpyridyl-Imidazole Ligand Rigidly Linked to Pyrene: Synthesis, Structure, Photophysics, Electrochemistry, and Anion-Sensing Studies
• Authors of publication: Dinesh Maity; Chanchal Bhaumik; Debiprasad Mondal; Sujoy Baitalik
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13941 - 13955
• a: 11.434 ± 0.005 Å
• b: 16.08 ± 0.005 Å
• c: 20.049 ± 0.005 Å
• α: 109.025 ± 0.005°
• β: 98.018 ± 0.005°
• γ: 97.341 ± 0.005°
• Cell volume: 3391 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1142
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.2035
• Weighted residual factors for all reflections included in the refinement: 0.2223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No