Information card for entry 4322810

Structure parameters

• Chemical name: [{Bis(1-methyl-benzimidazol-2-ylmethyl)sulfid}-bis(benzylthiolato)- tetrakis(mu2-benzylthiolato)-trizinc]
• Formula: C64 H66 N6 S7 Zn3
• Calculated formula: C64 H66 N6 S7 Zn3
• SMILES: [Zn]12([S](Cc3ccccc3)[Zn]3([S](Cc4ccccc4)[Zn]([S]1Cc1ccccc1)(SCc1ccccc1)[S]3Cc1ccccc1)SCc1ccccc1)[n]1c3ccccc3n(c1CSCc1[n]2c2ccccc2n1C)C.N#CC.N#CC
• 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: 13.55 ± 0.002 Å
• b: 15.313 ± 0.003 Å
• c: 15.493 ± 0.003 Å
• α: 90.249 ± 0.015°
• β: 91.866 ± 0.014°
• γ: 95.684 ± 0.015°
• Cell volume: 3197.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2311
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections: 0.2656
• Weighted residual factors for significantly intense reflections: 0.1695
• Goodness-of-fit parameter for all reflections: 1.069
• Goodness-of-fit parameter for significantly intense reflections: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No