Information card for entry 1504433

Structure parameters

• Formula: C24 H27 B N6 Ru
• Calculated formula: C24 H27 B N6 Ru
• SMILES: [B]12(c3ccc(cc3)C(C)(C)C)n3[n]([Ru]4567([n]8n1ccc8)([n]1n2ccc1)[cH]1[cH]4[cH]5[cH]6[cH]71)ccc3
• Title of publication: Tris(1-pyrazolyl)borate (Scorpionate) Functionalized Polymers as Scaffolds for Metallopolymers
• Authors of publication: Qin, Yang; Cui, Chengzhong; Jäkle, Frieder
• Journal of publication: Macromolecules
• Year of publication: 2008
• Journal volume: 41
• Journal issue: 9
• Pages of publication: 2972
• a: 9.391 ± 0.001 Å
• b: 10.4269 ± 0.001 Å
• c: 12.3173 ± 0.0012 Å
• α: 71.477 ± 0.004°
• β: 77.291 ± 0.006°
• γ: 82.09 ± 0.005°
• Cell volume: 1112.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No