Information card for entry 4113761

Structure parameters

• Formula: C24 H38 B Co N6 O
• Calculated formula: C24 H38 B Co N6 O
• SMILES: [Co]12(O)[n]3n(c(C)cc3C(C)(C)C)[BH](n3[n]1c(cc3C)C(C)(C)C)n1[n]2c(cc1C)C(C)(C)C
• Title of publication: Protonation and Reactivity towards Carbon Dioxide of the Mononuclear Tetrahedral Zinc and Cobalt Hydroxide Complexes, [TpBut,Me]ZnOH and [TpBut,Me]CoOH: Comparison of the Reactivity of the Metal Hydroxide Function in Synthetic Analogues of Carbonic Anhydrase
• Authors of publication: Catherine Bergquist; Tauqir Fillebeen; Melissa M. Morlok; Gerard Parkin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 6189 - 6199
• a: 9.5712 ± 0.0008 Å
• b: 30.523 ± 0.002 Å
• c: 9.5763 ± 0.0007 Å
• α: 90°
• β: 100.91 ± 0.001°
• γ: 90°
• Cell volume: 2747.1 ± 0.4 ų
• Cell temperature: 238 ± 2 K
• Ambient diffraction temperature: 238 ± 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: 0.1414
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No