Novel Cu(II) Complexes as DNA-destabilizing Agents and Their DNA Nuclease Activity
Kwon, Hee Chang; Lee, Da Hyun; Yoon, Minyoung; Nayab, Saira; Lee, Hyosun; Han, Ji Hoon; Dalton Transactions  (2023) –; doi:10.1039/D3DT02615A

data_7714236
_publ_section_title
;
 Novel Cu(II) Complexes as DNA-destabilizing Agents and Their DNA Nuclease
 Activity
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT02615A
_journal_year                    2023
_chemical_formula_sum            'C14 H16 Cu N4 O7'
_chemical_formula_weight         415.85
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-09-20 deposited with the CCDC.	2023-10-02 downloaded from the CCDC.
;
_cell_angle_alpha                74.02(3)
_cell_angle_beta                 89.47(3)
_cell_angle_gamma                69.01(3)
_cell_formula_units_Z            2
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_cell_length_b                   8.2690(16)
_cell_length_c                   14.574(3)
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33.679
_cell_measurement_theta_min      0.350
_cell_volume                     773.5(3)
_computing_cell_refinement       'HKL3000sm (Otwinowski & Minor, 1997)'
_computing_data_collection       'PAL BL2D-SMDC Program (Shin et. al, 2016)'
_computing_data_reduction        'HKL3000sm (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    ORTEP
_computing_publication_material  WinGX
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_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.951
_diffrn_measured_fraction_theta_max 0.742
_diffrn_measurement_device_type  'Rayonix MX225HS CCD area detector'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.610
_diffrn_reflns_av_R_equivalents  0.0272
_diffrn_reflns_av_unetI/netI     0.0405
_diffrn_reflns_Laue_measured_fraction_full 0.951
_diffrn_reflns_Laue_measured_fraction_max 0.742
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
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_diffrn_reflns_limit_l_min       -22
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_diffrn_reflns_point_group_measured_fraction_full 0.951
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_diffrn_reflns_theta_max         33.652
_diffrn_reflns_theta_min         2.333
_diffrn_source                   'PLSII 2D bending magnet'
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_exptl_absorpt_correction_T_min  0.955
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_exptl_absorpt_process_details   'HKL3000sm Scalepack(Otwinowski et.al,2003)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.785
_exptl_crystal_description       plate
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_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
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_refine_ls_restrained_S_all      1.700
_refine_ls_R_factor_all          0.0426
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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^)+(0.0776P)^2^+0.2567P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_shelx_estimated_absorpt_t_min   0.830
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_shelx_res_checksum              46736