Information card for entry 4322811

Structure parameters

• Common name: [BzEt3N]2[Zn8S(BzS)16]
• Chemical name: Bis-[triethylbenzylammonium][(μ4-sulfido)-hexadeca-(benzylthiolato)- octa-zincate]
• Formula: C143 H176 N2 O5 S17 Zn8
• Calculated formula: C143 H176 N2 O5 S17 Zn8
• SMILES: [Zn]123S45[Zn]67[S]([Zn]([S]([Zn]84[S]([Zn]([S]7Cc4ccccc4)([S]([Zn]5([S]([Zn]([S]6Cc4ccccc4)([S]2Cc2ccccc2)SCc2ccccc2)Cc2ccccc2)[S]([Zn]([S]8Cc2ccccc2)([S]3Cc2ccccc2)SCc2ccccc2)Cc2ccccc2)Cc2ccccc2)SCc2ccccc2)Cc2ccccc2)Cc2ccccc2)([S]1Cc1ccccc1)SCc1ccccc1)Cc1ccccc1.[N+](Cc1ccccc1)(CC)(CC)CC.[N+](Cc1ccccc1)(CC)(CC)CC.CO.CO.CO.CO.CO
• Title of publication: Controlled Formation of Tri- and Octanuclear Benzylthiolate Complexes of Zinc
• Authors of publication: Rainer Burth; Michael Gelinsky; Heinrich Vahrenkamp
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 2833 - 2836
• a: 16.739 ± 0.003 Å
• b: 16.762 ± 0.003 Å
• c: 28.154 ± 0.006 Å
• α: 106.82 ± 0.03°
• β: 100.11 ± 0.03°
• γ: 91.14 ± 0.03°
• Cell volume: 7423 ± 3 ų
• Cell temperature: 205 ± 2 K
• Ambient diffraction temperature: 205 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No