Information card for entry 7014378

Structure parameters

• Formula: C24 H64 Li2 N4 P2 S2 Si4
• Calculated formula: C24 H64 Li2 N4 P2 S2 Si4
• SMILES: [Li]123[N]([Si](C)(C)C)=S([C@@H](C)[P]1(CC)CC)[N]2([Si](C)(C)C)[Li]12[N]([Si](C)(C)C)=S([C@H](C)[P]1(CC)CC)[N]23[Si](C)(C)C
• Title of publication: Access to new Janus head ligands: linking sulfur diimides and phosphanes for hemilabile tripodal scorpionates.
• Authors of publication: Meinholz, Margret M.; Pandey, Sushil K.; Deuerlein, Stephan M.; Stalke, Dietmar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 8
• Pages of publication: 1662 - 1671
• a: 10.6002 ± 0.0006 Å
• b: 10.635 ± 0.001 Å
• c: 10.7744 ± 0.0006 Å
• α: 100.785 ± 0.001°
• β: 117.366 ± 0.001°
• γ: 103.446 ± 0.001°
• Cell volume: 986.48 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No