Selective recognition of thymidylylthymidine (TpT) and antitumor effects of a macrocyclic dizinc(II) complex.
Gao, Jian; Reibenspies, Joseph H.; Martell, Arthur E.; Organic & biomolecular chemistry 1 (2003) 4242–4247; doi:10.1039/b308358f

data_7151560
_publ_section_title
;
 Selective recognition of thymidylylthymidine (TpT) and antitumor
 effects of a macrocyclic dizinc(II) complex.
;
_journal_issue                   23
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              4242
_journal_page_last               4247
_journal_paper_doi               10.1039/b308358f
_journal_volume                  1
_journal_year                    2003
_chemical_formula_sum            'C16 H40 Cl4 N8 O8 Zn2'
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; 
? 
;
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_computing_cell_refinement       'Bruker SMART'
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_computing_data_reduction        'Bruker SAINT'
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_diffrn_ambient_temperature      110(2)
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_diffrn_measurement_device_type  'CCD area detector'
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_diffrn_reflns_limit_h_min       -33
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_diffrn_reflns_theta_min         1.59
_exptl_absorpt_coefficient_mu    2.078
_exptl_absorpt_correction_T_max  0.9403
_exptl_absorpt_correction_T_min  0.5744
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.708
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1536
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
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_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0798P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1255
_refine_ls_wR_factor_ref         0.1382
_reflns_number_gt                5972
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b308358f.txt
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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 
;
_cod_original_sg_symbol_H-M      Pna2(1)
_cod_database_code               7151560