Homo- and heteroleptic trimethoxy terpyridine-Cu(ii) complexes: synthesis, characterization, DNA/BSA binding, DNA cleavage and cytotoxicity studies.
Jain, Surbhi; Bhar, Kishalay; Kumar, Sandeep; Bandyopadhyaya, Shreetama; Tapryal, Suman; Mandal, Chandi C.; Sharma, Anuj K.; Dalton transactions (Cambridge, England : 2003) 49 (2020) 4100–4113; doi:10.1039/d0dt00209g

data_7703614
_publ_section_title
;
 Homo- and heteroleptic trimethoxy terpyridine-Cu(ii) complexes:
 synthesis, characterization, DNA/BSA binding, DNA cleavage and
 cytotoxicity studies.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4100
_journal_page_last               4113
_journal_paper_doi               10.1039/d0dt00209g
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C50 H45 Cl2 Cu N7 O14'
_chemical_formula_weight         1102.36
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-01-13 deposited with the CCDC.	2020-02-27 downloaded from the CCDC.
;
_cell_angle_alpha                91.460(3)
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.35
_cell_measurement_theta_min      2.44
_cell_volume                     2453.82(19)
_computing_cell_refinement       'Bruker SAINT'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_Laue_measured_fraction_full 0.995
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_diffrn_reflns_limit_k_min       -15
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_diffrn_reflns_number            34880
_diffrn_reflns_point_group_measured_fraction_full 0.995
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_diffrn_reflns_theta_max         24.997
_diffrn_reflns_theta_min         2.279
_exptl_absorpt_coefficient_mu    0.627
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.436
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             1094
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         8613
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.169
_refine_ls_R_factor_all          0.0860
_refine_ls_R_factor_gt           0.0768
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0597P)^2^+8.4928P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1962
_refine_ls_wR_factor_ref         0.2029
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7509
_reflns_number_total             8613
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt00209g2.cif
_cod_data_source_block           ASKBSJ228_0m_a
_cod_depositor_comments
'Adding full bibliography for 7703612--7703614.cif.'
_cod_database_code               7703614
_shelx_shelxl_version_number     2014/7
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