Information card for entry 4338653

Structure parameters

• Common name: Znw_fine
• Formula: C16 H18 N2 O7 S2 W Zn
• Calculated formula: C16 H18 N2 O7 S2 W Zn
• Title of publication: Development of Five-Coordinate Zinc Mono- and Dithiolates as S-Donor Metalloligands: Formation of a Zn‒W Coordination Polymer
• Authors of publication: Almaraz, Elky; Foley, William S.; Denny, Jason A.; Reibenspies, Joseph H.; Golden, Melissa L.; Darensbourg, Marcetta Y.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 5288 - 5295
• a: 9.481 ± 0.002 Å
• b: 10.843 ± 0.003 Å
• c: 10.599 ± 0.003 Å
• α: 90°
• β: 104.965 ± 0.011°
• γ: 90°
• Cell volume: 1052.6 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1257
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.1853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No