Information card for entry 4115672

Structure parameters

• Formula: C104 H134 Cl2 N8 O16 Zn
• Calculated formula: C104 H121 Cl2 N8 O16 Zn
• Title of publication: Supramolecular Stabilization of a Tris(imidazolyl) Zn-Aqua Complex Evidenced by X-ray Analysis: A Structural Model for Mono-Zinc Active Sites of Enzymes
• Authors of publication: Olivier Sénèque; Marie-Noëlle Rager; Michel Giorgi; Olivia Reinaud
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 8442 - 8443
• a: 23.7459 ± 0.0004 Å
• b: 16.1047 ± 0.0002 Å
• c: 27.4967 ± 0.0005 Å
• α: 90°
• β: 96.4411 ± 0.0005°
• γ: 90°
• Cell volume: 10448.9 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1114
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.2129
• Weighted residual factors for all reflections included in the refinement: 0.2404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No