Information card for entry 7014377

Structure parameters

• Formula: C18 H52 Li2 N4 P2 S2 Si4
• Calculated formula: C18 H52 Li2 N4 P2 S2 Si4
• SMILES: [Li]123[P](C)(C)CS(=[N]1[Si](C)(C)C)[N]2([Si](C)(C)C)[Li]12[P](C)(C)CS(=[N]1[Si](C)(C)C)[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: 10.2715 ± 0.0011 Å
• b: 10.356 ± 0.0011 Å
• c: 10.4832 ± 0.0011 Å
• α: 68.636 ± 0.001°
• β: 65.728 ± 0.001°
• γ: 60.99 ± 0.001°
• Cell volume: 869.77 ± 0.16 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: 0.0236
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 0.861
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No