Information card for entry 4068951

Structure parameters

• Formula: C32 H36 Li N O2 P2 S2
• Calculated formula: C31.93 H20 Li N O2 P2 S2
• SMILES: [S]1=P(N=P(S[Li]1([O]1CCCC1)[O]1CCCC1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Bis(imidodithiodiphosphinato) Titanium and Zirconium Complexes: Synthesis, Characterization, and Their Catalytic Activity in the Polymerization of α-Olefins
• Authors of publication: Chen, Fapu; Kapon, Moshe; Woollins, J. Derek; Eisen, Moris S.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 8
• Pages of publication: 2391
• a: 10.5476 ± 0.0006 Å
• b: 17.0182 ± 0.001 Å
• c: 17.643 ± 0.0009 Å
• α: 90°
• β: 92.594 ± 0.004°
• γ: 90°
• Cell volume: 3163.7 ± 0.3 ų
• Cell temperature: 230 ± 0.1 K
• Ambient diffraction temperature: 230 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.1262
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 0.818
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No