Intermediate in β-Lactam Hydrolysis Catalyzed by a Dinuclear Zinc(II) Complex: Relevance to the Mechanism of Metallo-β-lactamase
Natalia V. Kaminskaia; Bernhard Spingler; Stephen J. Lippard; Journal of the American Chemical Society 123 (2001) 6555–6563; doi:10.1021/ja002699e

data_4115610
_publ_section_title
;
 Intermediate in \b-Lactam Hydrolysis Catalyzed by a Dinuclear Zinc(II)
 Complex: Relevance to the Mechanism of Metallo-\b-lactamase
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6555
_journal_page_last               6563
_journal_paper_doi               10.1021/ja002699e
_journal_volume                  123
_journal_year                    2001
_chemical_formula_sum            'C25 H39 Cl2 N5 O12 Zn2'
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_chemical_name_systematic
; 
 ? 
;
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_cell_angle_gamma                100.713(2)
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_cell_length_c                   14.3086(3)
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_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
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_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      188(2)
_diffrn_measured_fraction_theta_full 0.888
_diffrn_measured_fraction_theta_max 0.888
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_min       -15
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1411P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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