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Information card for entry 7114380
Preview
Coordinates | 7114380.cif |
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Original paper (by DOI) | HTML |
Formula | C10 H22 N2 O4 Zn |
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Calculated formula | C10 H22 N2 O4 Zn |
SMILES | C1(=[O][Zn]23(O1)([N](C)(C)CC[N]2(C)C)OC(=[O]3)C)C |
Title of publication | A novel dizinc bridged hydroxamate model for hydroxamate inhibited zinc hydrolasesAbbreviations: OAc = CH3CO2‒, BHA = benzohydroxamic acid, BA=deprotonated hydroxamic acid, tmen = tetramethylethylenediamine. |
Authors of publication | Brown, David A.; Errington, William; Fitzpatrick, Noel J.; Glass, William K.; Kemp, Terence J.; Nimir, Hassan; Ryan, Áine T. |
Journal of publication | Chemical Communications |
Year of publication | 2002 |
Journal issue | 11 |
Pages of publication | 1210 |
a | 14.9905 ± 0.0019 Å |
b | 7.3672 ± 0.0014 Å |
c | 12.5105 ± 0.0017 Å |
α | 90° |
β | 97.015 ± 0.003° |
γ | 90° |
Cell volume | 1371.3 ± 0.4 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0718 |
Residual factor for significantly intense reflections | 0.0661 |
Weighted residual factors for significantly intense reflections | 0.1666 |
Weighted residual factors for all reflections included in the refinement | 0.1699 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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