Thioester hydrolysis reactivity of zinc hydroxide complexes: investigating reactivity relevant to glyoxalase II enzymes.
Berreau, Lisa M.; Saha, Amrita; Arif, Atta M.; Dalton transactions (Cambridge, England : 2003)  (2006) 183–192; doi:10.1039/b512515d

data_7006650
_publ_section_title
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 Thioester hydrolysis reactivity of zinc hydroxide complexes:
 investigating reactivity relevant to glyoxalase II enzymes.
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_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              183
_journal_page_last               192
_journal_paper_doi               10.1039/b512515d
_journal_year                    2006
_chemical_formula_sum            'C40 H60 Cl2 N10 O10 Zn2'
_chemical_formula_weight         1042.62
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
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_symmetry_space_group_name_Hall  '-C 2yc'
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 112.8344(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.5217(3)
_cell_length_b                   16.3421(2)
_cell_length_c                   19.4004(4)
_cell_measurement_reflns_used    4933
_cell_measurement_temperature    150(1)
_cell_measurement_theta_max      27.485
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_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'WinGX, Ortep3'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(1)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Nonius KappaCCD Diffractometer'
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            9712
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_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         2.41
_exptl_absorpt_coefficient_mu    1.168
_exptl_absorpt_correction_T_max  0.7750
_exptl_absorpt_correction_T_min  0.7589
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'DENZO-SMN (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.435
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
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_exptl_crystal_size_max          0.25
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+38.6366P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1267
_refine_ls_wR_factor_ref         0.1302
_reflns_number_gt                4878
_reflns_number_total             5522
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b512515d.txt
_cod_data_source_block           usu102
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
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_cod_original_cell_volume        4827.58(15)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7006650