Information card for entry 7014374

Structure parameters

• Formula: C22 H52 Li2 N4 P2 S2
• Calculated formula: C22 H52 Li2 N4 P2 S2
• SMILES: C(C)(C)(C)[N]1[Li]23[N]4(C(C)(C)C)[Li]5([N]2(C(C)(C)C)S(C[P]3(C)C)=[N]5C(C)(C)C)[P](CS=14)(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: 9.4916 ± 0.0004 Å
• b: 9.6726 ± 0.0004 Å
• c: 18.7808 ± 0.0008 Å
• α: 98.772 ± 0.001°
• β: 92.004 ± 0.001°
• γ: 114.778 ± 0.001°
• Cell volume: 1537.77 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0341
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No