Information card for entry 4114651

Structure parameters

• Formula: C12 H20 F6 Mg O11 S2
• Calculated formula: C12 H20 F6 Mg O11 S2
• Title of publication: Interaction of Biotin with Mg-O Bonds: Bifunctional Binding and Recognition of Biotin and Related Ligands by the Mg(15-crown-5)2+ Unit
• Authors of publication: Elizabeth R. Sanchez; Mary C. Gessel; Thomas L. Groy; M. Tyler Caudle
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 1933 - 1940
• a: 8.5567 ± 0.0007 Å
• b: 9.7163 ± 0.0008 Å
• c: 13.419 ± 0.0011 Å
• α: 90°
• β: 101.622 ± 0.001°
• γ: 90°
• Cell volume: 1092.78 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1603
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No