Information card for entry 4030851

Structure parameters

• Formula: C18 H28 S2 Zr
• Calculated formula: C18 S2 Zr
• SMILES: S([Zr]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)(SC(C)(C)C)[cH]1[cH]8[cH]7[cH]6[cH]51)C(C)(C)C
• Title of publication: Bis(eta5-cyclopentadienyl)bis(thiolato)titanium(IV) and zirconium(IV): synthesis and crystal structure of Cp2M(StBu)2 (M = Ti, Zr). Use of Cp2Ti(StBu)2 and Cp2Ti(SEt)2 as single-source precursors for the chemical vapour deposition of titanium sulfides
• Authors of publication: Senocq, F.; Viguier, N.; Gleizes, A.
• Journal of publication: European Journal of Solid State and Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 33
• Pages of publication: 1185 - 1197
• a: 16.604 ± 0.008 Å
• b: 9.384 ± 0.002 Å
• c: 12.884 ± 0.006 Å
• α: 90°
• β: 107.86 ± 0.02°
• γ: 90°
• Cell volume: 1910.7 ± 1.4 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No