Information card for entry 4336962

Structure parameters

• Formula: C58 H36 Cl2 N10 O2 Ru
• Calculated formula: C58 H36 Cl2 N10 O2 Ru
• SMILES: [Ru]1234([n]5c(c6[n]1cccc6)cc(cc5c1[n]2cccc1)c1ccc(cc1)c1[nH]c2c5c6c7c(c2n1)cccc7ccc6ccc5)n1c2c(nc1c1[n]4c(c4nc5c(n34)cccc5)ccc1)cccc2.C(Cl)Cl.O.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: 9.417 ± 0.005 Å
• b: 13.291 ± 0.005 Å
• c: 23.144 ± 0.005 Å
• α: 106.289 ± 0.005°
• β: 96.429 ± 0.005°
• γ: 97.578 ± 0.005°
• Cell volume: 2722.2 ± 1.9 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: 0.0745
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.2101
• Weighted residual factors for all reflections included in the refinement: 0.2223
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No