Information card for entry 7014379

Structure parameters

• Formula: C32 H56 Li2 N4 P2 S2
• Calculated formula: C32 H56 Li2 N4 P2 S2
• SMILES: [Li]12[P](c3ccccc3)(C)CS(=[N]1C(C)(C)C)N(C(C)(C)C)[Li]1[P](c3ccccc3)(C)CS(=[N]1C(C)(C)C)N2C(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: 10.5006 ± 0.0014 Å
• b: 20.753 ± 0.003 Å
• c: 8.5699 ± 0.0011 Å
• α: 90°
• β: 97.279 ± 0.002°
• γ: 90°
• Cell volume: 1852.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0325
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No