Information card for entry 4347406

Structure parameters

• Formula: C58 H70 B2 Mg N6 Si2
• Calculated formula: C58 H70 B2 Mg N6 Si2
• SMILES: [B](c1[n]2cccc1)(c1cccc[n]13)(c1ccc(cc1)[Si](C)(C)C)c1[n](cccc1)[Mg]2314[n]2c(cccc2)[B](c2cccc[n]12)(c1cccc[n]14)c1ccc(cc1)[Si](C)(C)C.C1CCCCC1
• 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: 9.2521 ± 0.0006 Å
• b: 19.3245 ± 0.0013 Å
• c: 24.5948 ± 0.0017 Å
• α: 100.575 ± 0.004°
• β: 100.809 ± 0.004°
• γ: 103.32 ± 0.004°
• Cell volume: 4083.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.085
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No