Information card for entry 4327726

Structure parameters

• Formula: C48 H62 B2 Br2 F8 N8 O Ru
• Calculated formula: C48 H52 B2 Br2 F8 N8 O Ru
• SMILES: [Ru]123([n]4ccc(cc4c4[n]1ccc(c4)C(C)(C)C)C(C)(C)C)([n]1ccc(cc1c1[n]2ccc(c1)C(C)(C)C)C(C)(C)C)[n]1cc(Br)cnc1c1[n]3cc(Br)cn1.O(CC)CC.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Enhanced Photocatalytic Activity of α-Methylstyrene Oligomerization through Effective Metal-to-Ligand Charge-Transfer Localization on the Bridging Ligand
• Authors of publication: Hiroyuki Nitadori; Takeshi Takahashi; Akiko Inagaki; Munetaka Akita
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 51 - 62
• a: 10.866 ± 0.006 Å
• b: 16.183 ± 0.009 Å
• c: 18.127 ± 0.006 Å
• α: 101.79 ± 0.03°
• β: 106.73 ± 0.03°
• γ: 109.361 ± 0.014°
• Cell volume: 2717 ± 2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2058
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1656
• Weighted residual factors for all reflections included in the refinement: 0.216
• Goodness-of-fit parameter for all reflections included in the refinement: 0.87
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No