Information card for entry 7014375

Structure parameters

• Formula: C42 H60 Li2 N4 P2 S2
• Calculated formula: C42 H60 Li2 N4 P2 S2
• SMILES: [Li]123[P](c4ccccc4)(c4ccccc4)CS(=[N]1C(C)(C)C)[N]2(C(C)(C)C)[Li]12[P](c4ccccc4)(c4ccccc4)CS(=[N]1C(C)(C)C)[N]23C(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: 9.6236 ± 0.0011 Å
• b: 10.1512 ± 0.0012 Å
• c: 11.3253 ± 0.0013 Å
• α: 73.936 ± 0.002°
• β: 84.728 ± 0.002°
• γ: 88.96 ± 0.002°
• Cell volume: 1058.7 ± 0.2 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: 0.0564
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1026
• 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