Information card for entry 4115083

Structure parameters

• Formula: C27.5 H48 Cl N5 O5.5 S Zn
• Calculated formula: C27.5 H48 Cl N5 O5.5 S Zn
• Title of publication: Mononuclear Nitrogen/Sulfur-Ligated Zinc Methoxide and Hydroxide Complexes: Investigating Ligand Effects on the Hydrolytic Stability of Zinc Alkoxide Species
• Authors of publication: Dewain K. Garner; Sarah B. Fitch; Lenore H. McAlexander; Lisa M. Bezold; Atta M. Arif; Lisa M. Berreau
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 9970 - 9971
• a: 14.6173 ± 0.0002 Å
• b: 14.6257 ± 0.0003 Å
• c: 17.0537 ± 0.0002 Å
• α: 89.7437 ± 0.0008°
• β: 67.8568 ± 0.001°
• γ: 78.8226 ± 0.0006°
• Cell volume: 3303.47 ± 0.09 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No