Information card for entry 4075344

Structure parameters

• Chemical name: RuC60Me5Cldppe
• Formula: C91 H39 Cl P2 Ru
• Calculated formula: C91 H39 Cl P2 Ru
• SMILES: [Ru]12345(Cl)([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[c]16[c]72[c]23[c]34[c]51C1(c4c5C3(c3c8C2(c2c9C7(c7c%10C6(c6c1c1c4c4c%11c5c3c3c5c8c2c2c8c9c7c7c9c%10c6c6c1c1c4c4c%11c3c3c5c2c2c8c7c5c9c6c1c1c5c2c3c41)C)C)C)C)C
• Title of publication: Remote Chirality Transfer within a Coordination Sphere by the Use of a Ligand Possessing a Concave Cavity
• Authors of publication: Matsuo, Yutaka; Mitani, Yuichi; Zhong, Yu-Wu; Nakamura, Eiichi
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 11
• Pages of publication: 2826
• a: 12.919 ± 0.0009 Å
• b: 23.937 ± 0.0018 Å
• c: 17.951 ± 0.0009 Å
• α: 90°
• β: 99.741 ± 0.004°
• γ: 90°
• Cell volume: 5471.2 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1865
• Weighted residual factors for all reflections included in the refinement: 0.1979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No