Information card for entry 4506435

Structure parameters

• Formula: C30 H24 F12 N6 P2 Ru
• Calculated formula: C30 H24 F12 N6 P2 Ru
• SMILES: c1cccc2[n]1[Ru]13([n]4ccccc4c4cccc[n]14)([n]1ccccc1c1cccc[n]31)[n]1ccccc21.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Supramolecular Selection in Molecular Alloys
• Authors of publication: Bouzaid, Jocelyne; Schultz, Madeleine; Lao, Zane; Bartley, John; Bostrom, Thor; McMurtrie, John
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 3906
• a: 10.7046 ± 0.0002 Å
• b: 10.7046 ± 0.0002 Å
• c: 16.3796 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1625.45 ± 0.06 ų
• Cell temperature: 225 ± 2 K
• Ambient diffraction temperature: 225 ± 2 K
• Number of distinct elements: 6
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No