Information card for entry 4311006

Structure parameters

• Formula: C38 H35 B N6 O3 Zn
• Calculated formula: C38 H35 B N6 O3 Zn
• SMILES: [BH]12n3c(C)cc(c4ccccc4)[n]3[Zn]3([n]4c(cc(C)n14)c1ccccc1)([n]1c(cc(C)n21)c1ccccc1)Oc1ccccc1C(=[O]3)OC
• Title of publication: Using Model Complexes To Augment and Advance Metalloproteinase Inhibitor Design
• Authors of publication: Faith E. Jacobsen; Seth M. Cohen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3038 - 3047
• a: 11.3869 ± 0.0008 Å
• b: 22.6123 ± 0.0015 Å
• c: 13.1052 ± 0.0009 Å
• α: 90°
• β: 92.306 ± 0.001°
• γ: 90°
• Cell volume: 3371.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0408
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No