Mitochondrial selectivity and remarkable photocytotoxicity of a ferrocenyl neodymium(iii) complex of terpyridine and curcumin in cancer cells.
Sarkar, Tukki; Banerjee, Samya; Mukherjee, Sanjoy; Hussain, Akhtar; Dalton transactions (Cambridge, England : 2003) 45 (2016) 6424–6438; doi:10.1039/c5dt04775g

data_7038529
_publ_section_title
;
 Mitochondrial selectivity and remarkable photocytotoxicity of a
 ferrocenyl neodymium(iii) complex of terpyridine and curcumin in cancer
 cells.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6424
_journal_page_last               6438
_journal_paper_doi               10.1039/c5dt04775g
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C26 H22 N5 Nd O8'
_chemical_formula_sum            'C26 H22 N5 Nd O8'
_chemical_formula_weight         676.73
_chemical_properties_physical    Light-sensitive
_space_group_IT_number           2
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_symmetry_space_group_name_Hall  '-P 1'
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_audit_update_record
;
2015-09-18 deposited with the CCDC.
2016-02-23 downloaded from the CCDC.
;
_cell_angle_alpha                77.029(2)
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_cell_angle_gamma                70.083(2)
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_cell_length_b                   10.7596(6)
_cell_length_c                   14.1625(8)
_cell_measurement_temperature    293(2)
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_computing_cell_refinement       'Bruker Smart'
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_computing_data_reduction        'Bruker Saint'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0.3
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Smart CCD Area Detector'
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_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_l_min       -17
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_exptl_absorpt_correction_type   empirical
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_exptl_crystal_colour            Colorless
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_exptl_crystal_density_method    'not measured'
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_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_size_max          0.75
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_refine_ls_R_factor_all          0.0278
_refine_ls_R_factor_gt           0.0236
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0345P)^2^+0.2390P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0583
_refine_ls_wR_factor_ref         0.0600
_reflns_number_gt                4759
_reflns_number_total             5242
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            c5dt04775g2.cif
_cod_data_source_block           CEJ_AH2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/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 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7038529.cif.
;
_cod_original_cell_volume        1328.47(13)
_cod_database_code               7038529