Information card for entry 4311001

Structure parameters

• Formula: C36 H34 B F3 N6 O3 Zn
• Calculated formula: C36 H34 B F3 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)[O]=C(C=C(O3)OCC)C(F)(F)F
• 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: 11.8958 ± 0.0007 Å
• b: 11.91 ± 0.0007 Å
• c: 12.2087 ± 0.0007 Å
• α: 91.678 ± 0.001°
• β: 94.673 ± 0.001°
• γ: 95.525 ± 0.001°
• Cell volume: 1714.76 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No