Information card for entry 7009846

Structure parameters

• Formula: C16 H24 N4 O2 S Zn
• Calculated formula: C16 H24 N4 O2 S Zn
• Title of publication: Structure and physical properties of several pseudotetrahedral zinc complexes containing a new alkyl thiolate heteroscorpionate ligand
• Authors of publication: Hammes, Brian S.; Carrano, Carl J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 19
• Pages of publication: 3304
• a: 11.889 ± 0.002 Å
• b: 11.694 ± 0.002 Å
• c: 13.953 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1939.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for all reflections: 0.0973
• Weighted residual factors for significantly intense reflections: 0.081
• Goodness-of-fit parameter for all reflections: 0.914
• Goodness-of-fit parameter for significantly intense reflections: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No