Information card for entry 7102723

Structure parameters

• Formula: C72 H54 F24 N12 O3 P4 Ru2
• Calculated formula: C72 H48 F24 N12 O3 P4 Ru2
• SMILES: [n]12cccc3ccc4ccc[n](c4c13)[Ru]132([n]2cccc4ccc5ccc[n]1c5c24)[n]1cccc2ccc4ccc[n]3c4c12.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O.O
• Title of publication: Formation of racemic crystals of transition metal complexes by grinding 1 : 1 mixtures of enantiomeric crystals.
• Authors of publication: Nakamura, Asao; Sato, Tomohiro; Kuroda, Reiko
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 24
• Pages of publication: 2858 - 2859
• a: 12.9342 ± 0.0013 Å
• b: 17.6216 ± 0.0018 Å
• c: 31.042 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7075.2 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No