Information card for entry 4347411

Structure parameters

• Formula: C105 H96 B6 Br2 N12 O4 Ru2
• Calculated formula: C105 H96 B6 Br2 N12 O4 Ru2
• Title of publication: "Third-Generation"-Type Functional Tris(2-pyridyl)borate Ligands and Their Transition-Metal Complexes.
• Authors of publication: Jeong, So Yi; Lalancette, Roger A.; Lin, Huina; Lupinska, Patrycja; Shipman, Patrick O.; John, Alexandra; Sheridan, John B.; Jäkle, Frieder
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 3605 - 3615
• a: 12.1544 ± 0.0003 Å
• b: 12.3906 ± 0.0003 Å
• c: 15.7667 ± 0.0004 Å
• α: 96.766 ± 0.002°
• β: 94.743 ± 0.002°
• γ: 94.685 ± 0.002°
• Cell volume: 2339.81 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0668
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No