Information card for entry 2107483

Structure parameters

• Formula: C46.111 H40.444 F12 N8 O1.333 P2 Ru
• Calculated formula: C46.1111 H40.4444 F12 N8 O1.33333 P2 Ru
• SMILES: [Ru]123([n]4c(C)ccc5c4c4[n]1c(ccc4cc5)C)([n]1c(C)ccc4c1c1[n]2c(ccc1cc4)C)[n]1cccc2c1c1[n]3cccc1c1nccnc21.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O=C(C)C.O=C(C)C
• Title of publication: An exceptional 5:4 enantiomeric structure
• Authors of publication: Wachter, Erin; Glazer, Edith C.; Parkin, Sean; Brock, Carolyn Pratt
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 2
• Pages of publication: 223 - 231
• a: 18.3127 ± 0.0003 Å
• b: 21.3286 ± 0.0004 Å
• c: 29.264 ± 0.0006 Å
• α: 81.874 ± 0.001°
• β: 89.211 ± 0.001°
• γ: 69.108 ± 0.001°
• Cell volume: 10563.1 ± 0.3 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1476
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes