Information card for entry 4060306

Structure parameters

• Formula: C48 H56 O2 S2 Y4
• Calculated formula: C48 H56 O2 S2 Y4
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Y]167892345([cH]2[cH]1[cH]6[cH]7[cH]82)[S]([Y]12345678([O]%10CCCC%10)([cH]%10[cH]1[cH]2[cH]3[cH]4%10)[cH]1[cH]8[cH]7[cH]6[cH]51)[Y]12345678([cH]%10[cH]1[cH]2[cH]3[cH]4%10)([cH]1[cH]5[cH]6[cH]7[cH]81)[S]9[Y]12345678([O]9CCCC9)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: Trapping Unstable Terminal Ta-O Multiple Bonds of Monocyclopentadienyl Tantalum Complexes with a Lewis Acid
• Authors of publication: Sanchez-Nieves, J.; Frutos, L. M.; Royo, P.; Castano, O.; Herdtweck, E.
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 11.064 ± 0.002 Å
• b: 19.121 ± 0.004 Å
• c: 11.45 ± 0.002 Å
• α: 90°
• β: 101.57 ± 0.004°
• γ: 90°
• Cell volume: 2373.1 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No