Information card for entry 7114425

Structure parameters

• Formula: C78 H76 B3 F12 N10 O4 S2 Zn2
• Calculated formula: C78 H76 B3 F12 N10 O4 S2 Zn2
• Title of publication: A new bis(imidazolyl)(alkylthiolate) tripodal ligand and the spontaneous formation of a disulfide-linked, hydroxo-bridged dinuclear zinc complexElectronic supplementary information (ESI) available: synthesis and characterisation of compounds 1???5. See http://www.rsc.org/suppdata/cc/b2/b207770a/
• Authors of publication: Karambelkar, Vivek V.; Krishnamurthy, Divya; Stern, Charlotte L.; Zakharov, Lev N.; Rheingold, Arnold L.; Goldberg, David P.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 23
• Pages of publication: 2772
• a: 28.526 ± 0.01 Å
• b: 14.601 ± 0.005 Å
• c: 25.161 ± 0.009 Å
• α: 90°
• β: 121.576 ± 0.005°
• γ: 90°
• Cell volume: 8928 ± 5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.208
• Residual factor for significantly intense reflections: 0.1248
• Weighted residual factors for significantly intense reflections: 0.3547
• Weighted residual factors for all reflections included in the refinement: 0.4179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.39
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No