Information card for entry 4301671

Structure parameters

• Formula: C40 H38 Cl4 N8 O5 Ru
• Calculated formula: C40 H38 Cl4 N8 O5 Ru
• SMILES: c12c3ccc[n]2[Ru]24([n]5c1c(ccc5)c1c3nc3c(cc(c(c3)Cl)Cl)n1)([n]1c(cccc1)c1cccc[n]21)[n]1c(cccc1)c1cccc[n]41.C(C)O.[Cl-].[Cl-].O.O.O.O
• Title of publication: Thermotropic Ruthenium(II)-Containing Metallomesogens Based on Substituted 1,10-Phenanthroline Ligands
• Authors of publication: Thomas Cardinaels; Jan Ramaekers; Kris Driesen; Peter Nockemann; Kristof Van Hecke; Luc Van Meervelt; Bart Goderis; Koen Binnemans
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2490 - 2499
• a: 10.4063 ± 0.0006 Å
• b: 17.9289 ± 0.0011 Å
• c: 21.8226 ± 0.0011 Å
• α: 90°
• β: 99.386 ± 0.003°
• γ: 90°
• Cell volume: 4017 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No