Nonsteroidal Anti-inflammatory-Organometallic Anticancer Compounds.
Păunescu, Emilia; McArthur, Sarah; Soudani, Mylène; Scopelliti, Rosario; Dyson, Paul J.; Inorganic chemistry 55 (2016) 1788–1808; doi:10.1021/acs.inorgchem.5b02690

data_4347070
_publ_section_title
;
 Nonsteroidal Anti-inflammatory-Organometallic Anticancer Compounds.
;
_journal_issue                   4
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1788
_journal_page_last               1808
_journal_paper_doi               10.1021/acs.inorgchem.5b02690
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety         'C44 H34 Cl4 N4 O8'
_chemical_formula_sum            'C44 H34 Cl4 N4 O8'
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_space_group_name_H-M_alt        'P 1 21/c 1'
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_atom_sites_solution_secondary   difmap
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_audit_update_record
;
2015-04-14 # Formatted by publCIF

;
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_cell_angle_gamma                90
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_cell_measurement_theta_min      3
_cell_volume                     2424.9(4)
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_computing_structure_solution    'Bruker SHELXTL'
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_diffrn_measurement_device_type  'Bruker APEX II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
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_diffrn_reflns_Laue_measured_fraction_full 0.981
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_exptl_crystal_colour            colourless
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_refine_ls_R_factor_all          0.1160
_refine_ls_R_factor_gt           0.0649
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0408P)^2^+7.2208P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1294
_refine_ls_wR_factor_ref         0.1565
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3099
_reflns_number_total             4856
_reflns_threshold_expression     'I > 2\s(I)'
_publcif_datablock.id            {c191be71-56dc-4b19-87aa-3110ba978aed}
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_cod_original_sg_symbol_H-M      'P 21/c'
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_shelx_estimated_absorpt_t_min   0.854
_shelx_estimated_absorpt_t_max   0.968
_shelx_res_checksum              25289
_shelx_hkl_checksum              65866
_shelx_fab_checksum              8764