Information card for entry 4064108

Structure parameters

• Common name: C6H10[OSSO]H2
• Chemical name: C6H10[OSSO]H2
• Formula: C36 H56 O2 S2
• Calculated formula: C36 H56 O2 S2
• Title of publication: Synthesis of Titanium(IV) and Zirconium(IV) Complexes with an [OSSO]-Type Bis(phenolate) Ligand Bearing atrans-Cyclohexane-1,2-diyl Ring and 1-Hexene Polymerization
• Authors of publication: Ishii, Akihiko; Asajima, Kanako; Toda, Tomoyuki; Nakata, Norio
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 11
• Pages of publication: 2947
• a: 9.9252 ± 0.0007 Å
• b: 33.704 ± 0.002 Å
• c: 11.0361 ± 0.0007 Å
• α: 90°
• β: 109.367 ± 0.001°
• γ: 90°
• Cell volume: 3482.9 ± 0.4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1794
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No