Information card for entry 4110200

Structure parameters

• Formula: C73 H58.67 B1.33 Cl7.33 F5.33 N4 O4 P2.67 Rh1.33 S2.67 Zn1.33
• Calculated formula: C73 H58.6667 B1.33333 Cl7.33333 F5.33333 N4 O4 P2.66667 Rh1.33333 S2.66667 Zn1.33333
• Title of publication: Allosteric Regulation of Phosphate Diester Transesterification Based upon a Dinuclear Zinc Catalyst Assembled via the Weak-Link Approach
• Authors of publication: Hyo Jae Yoon; Jungseok Heo; Chad A. Mirkin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 14182 - 14183
• a: 29.635 ± 0.004 Å
• b: 20.97 ± 0.003 Å
• c: 19.375 ± 0.003 Å
• α: 90°
• β: 95.606 ± 0.003°
• γ: 90°
• Cell volume: 11983 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 11
• 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: 0.4146
• Residual factor for significantly intense reflections: 0.1367
• Weighted residual factors for significantly intense reflections: 0.3066
• Weighted residual factors for all reflections included in the refinement: 0.4143
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No