Information card for entry 4066714

Structure parameters

• Formula: C60 H90 Li4 N4 O6 P2
• Calculated formula: C60 H90 Li4 N4 O6 P2
• SMILES: [Li]([n]1c([C@H]2[Li]3([O](CC)CC)[C@H](P2c2ccccc2)c2[n](cccc2)[Li]2([O](CC)CC)[C@H](P([C@H]2c2[n]3cccc2)c2ccccc2)c2[n]([Li]([O](CC)CC)[O](CC)CC)cccc2)cccc1)([O](CC)CC)[O](CC)CC
• Title of publication: Coordination Site SelectiveJanus HeadLigands†
• Authors of publication: Objartel, Ina; Pott, Nils A.; John, Michael; Stalke, Dietmar
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5670
• a: 10.0715 ± 0.001 Å
• b: 12.2596 ± 0.0012 Å
• c: 13.7979 ± 0.0013 Å
• α: 75.036 ± 0.003°
• β: 81.385 ± 0.003°
• γ: 71.331 ± 0.003°
• Cell volume: 1555.1 ± 0.3 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No