Selective formation of discrete versus polymeric copper organophosphates: DNA cleavage and cytotoxic activity
Bhat, Gulzar A.; Maqbool, Raihana; Dar, Aijaz; Hussain, Mahboob Ul; Murugavel, Ramaswamy; Dalton Trans.  (2017) –; doi:10.1039/C7DT02763J

data_7044231
_publ_section_title
;
 Selective formation of discrete versus polymeric copper organophosphates:
 DNA cleavage and cytotoxic activity
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT02763J
_journal_year                    2017
_chemical_formula_sum            'C68 H74 Br2 Cu2 N8 O12 P2'
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_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_Hall  '-P 1'
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_audit_update_record
;
2017-07-27 deposited with the CCDC.
2017-09-14 downloaded from the CCDC.
;
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_cell_angle_beta                 111.66(2)
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_cell_length_b                   13.329(2)
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_diffrn_ambient_temperature      150(2)
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_diffrn_measurement_device_type  'REQAB (Rigaku, 1998)'
_diffrn_measurement_method       \w
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_diffrn_reflns_theta_max         24.999
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_exptl_absorpt_correction_T_max  0.725
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_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            Green
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_exptl_crystal_description       Needles
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_refine_ls_R_factor_all          0.0434
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0538P)^2^+1.1142P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0996
_refine_ls_wR_factor_ref         0.1024
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5427
_reflns_number_total             6146
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt02763j2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_database_code               7044231
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.745
_shelx_estimated_absorpt_t_max   0.913
_shelx_res_checksum              22981