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mm:parameters:zinc:hdc [2013/07/31 10:48] joaocoimbra [Downloads] |
mm:parameters:zinc:hdc [2013/08/06 15:33] (current) ruineves |
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| **Coordination Sphere** | **Oxidation state:** Zn(II) \\ **Spin multiplicity:** 1 | | | **Coordination Sphere** | **Oxidation state:** Zn(II) \\ **Spin multiplicity:** 1 | | ||
- | | {{ :mm:parameters:zinc:set1.png?200 |}} | {{ :mm:parameters:zinc:image.png?400|}} ((The schemes represent geometrical dispositions for crystal lattices. These should be roughly similar to the corresponding distorted geometries in enzymatic coordination spheres.)) | | + | | {{ :mm:parameters:zinc:set1.png?120 |}} | JMOL | |
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==== Bond Parameters ==== | ==== Bond Parameters ==== | ||
- | | **BOND** | **l<sub>0 crystal</sub>** | **‹l›<sub>MD</sub> ± σ(l) <sup>(Resting State)</sup>** | **‹θ›<sub>MD</sub> ± σ(θ) <sup>(Binary Complex)</sup>** | | + | | **BOND** | **l<sub>0 crystal</sub>** | **‹l›<sub>MD</sub> ± σ(l) <sup>(Resting State)</sup>** | **‹l›<sub>MD</sub> ± σ(l) <sup>(Binary Complex)</sup>** | |
| ZF-OF | 2.00 | 2.06 ± 0.06 | 2.09 ± 0.06 | | | ZF-OF | 2.00 | 2.06 ± 0.06 | 2.09 ± 0.06 | | ||
| ZF-OG | 2.56 | 2.15 ± 0.07 | 2.13 ± 0.07 | | | ZF-OG | 2.56 | 2.15 ± 0.07 | 2.13 ± 0.07 | |