Information card for entry 4349166

Structure parameters

• Formula: C34 H22 Br2 F12 N6 P2 Ru
• Calculated formula: C34 H22 Br2 F12 N6 P2 Ru
• SMILES: [Ru]123([n]4cc(Br)ccc4c4[n]1cc(Br)cc4)([n]1c4c5[n]2cccc5ccc4ccc1)[n]1cccc2c1c1[n]3cccc1cc2.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Chiral Ruthenium(II) Complexes as Supramolecular Building Blocks for Heterometallic Self-Assembly.
• Authors of publication: Iranmanesh, Hasti; Arachchige, Kasun S. A.; Bhadbhade, Mohan; Donald, William A.; Liew, Jane Y.; Liu, Kenny T.-C.; Luis, Ena T.; Moore, Evan G.; Price, Jason R.; Yan, Hong; Yang, Jiajia; Beves, Jonathon E.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 24
• Pages of publication: 12737 - 12751
• a: 18.8064 ± 0.001 Å
• b: 18.7873 ± 0.001 Å
• c: 22.3898 ± 0.0012 Å
• α: 90°
• β: 102.726 ± 0.003°
• γ: 90°
• Cell volume: 7716.5 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No