Hypotoxic copper complexes with potent anti-metastatic and anti-angiogenic activities against cancer cells.
Shi, Xiangchao; Chen, Zhongyan; Wang, Yanjun; Guo, Zijian; Wang, Xiaoyong; Dalton transactions (Cambridge, England : 2003) 47 (2018) 5049–5054; doi:10.1039/C8DT00794B

data_7045771
_publ_section_title
;
 Hypotoxic copper complexes with potent anti-metastatic and
 anti-angiogenic activities against cancer cells.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5049
_journal_page_last               5054
_journal_paper_doi               10.1039/C8DT00794B
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C64 H50 Cl2 Cu2 N10 O14 P2'
_chemical_formula_weight         1443.06
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-11-23 deposited with the CCDC.
2018-03-05 downloaded from the CCDC.
;
_cell_angle_alpha                97.779(2)
_cell_angle_beta                 104.651(2)
_cell_angle_gamma                91.253(2)
_cell_formula_units_Z            1
_cell_length_a                   9.4397(14)
_cell_length_b                   10.9574(17)
_cell_length_c                   15.288(2)
_cell_measurement_reflns_used    4375
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.77
_cell_measurement_theta_min      2.31
_cell_volume                     1513.2(4)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0229
_diffrn_reflns_av_unetI/netI     0.0511
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            11257
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.008
_diffrn_reflns_theta_max         25.008
_diffrn_reflns_theta_min         1.392
_exptl_absorpt_coefficient_mu    0.922
_exptl_crystal_density_diffrn    1.584
_exptl_crystal_F_000             738
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.180
_refine_diff_density_max         0.826
_refine_diff_density_min         -0.748
_refine_diff_density_rms         0.083
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.50(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     767
_refine_ls_number_reflns         8061
_refine_ls_number_restraints     57
_refine_ls_restrained_S_all      1.098
_refine_ls_R_factor_all          0.0656
_refine_ls_R_factor_gt           0.0509
_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^)+(0.0814P)^2^+1.6681P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1399
_refine_ls_wR_factor_ref         0.1625
_reflns_Friedel_coverage         1.000
_reflns_Friedel_fraction_full    0.987
_reflns_Friedel_fraction_max     0.987
_reflns_number_gt                6544
_reflns_number_total             8061
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt00794b2.cif
_cod_data_source_block           1
_cod_depositor_comments          'Adding full bibliography for 7045771.cif.'
_cod_original_cell_volume        1513.3(4)
_cod_database_code               7045771
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.796
_shelx_estimated_absorpt_t_max   0.852
_shelx_res_checksum              4078