New Palladium(II) and Platinum(II) Complexes Based on Pyrrole Schiff Bases: Synthesis, Characterization, X-ray Structure, and Anticancer Activity
Mbugua, Simon N.; Sibuyi, Nicole R. S.; Njenga, Lydia W.; Odhiambo, Ruth A.; Wandiga, Shem O.; Meyer, Mervin; Lalancette, Roger A.; Onani, Martin O.; ACS Omega 5 (2020) 14942–14954; doi:10.1021/acsomega.0c00360

data_4517785
_publ_section_title
;
 New Palladium(II) and Platinum(II) Complexes Based on Pyrrole Schiff
 Bases: Synthesis, Characterization, X-ray Structure, and Anticancer
 Activity
;
_journal_issue                   25
_journal_name_full               'ACS Omega'
_journal_page_first              14942
_journal_page_last               14954
_journal_paper_doi               10.1021/acsomega.0c00360
_journal_volume                  5
_journal_year                    2020
_chemical_formula_moiety         'C10 H10 N2 S'
_chemical_formula_sum            'C10 H10 N2 S'
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_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
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_cell_angle_beta                 96.053(2)
_cell_angle_gamma                90
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_cell_length_b                   9.7032(4)
_cell_length_c                   20.4587(9)
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      69.12
_cell_measurement_theta_min      4.35
_cell_volume                     1900.51(14)
_computing_cell_refinement       'APEX 2'
_computing_data_collection       'APEX 2 (Bruker, 2006)'
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_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
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_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.942
_diffrn_measurement_device_type  'Bruker SMART CCD Apex-II area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_av_R_equivalents  0.0272
_diffrn_reflns_av_unetI/netI     0.0180
_diffrn_reflns_Laue_measured_fraction_full 0.967
_diffrn_reflns_Laue_measured_fraction_max 0.942
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
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_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            8375
_diffrn_reflns_point_group_measured_fraction_full 0.967
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_diffrn_reflns_theta_max         69.109
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_exptl_absorpt_coefficient_mu    2.619
_exptl_absorpt_correction_T_max  0.771
_exptl_absorpt_correction_T_min  0.540
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008a)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.330
_exptl_crystal_description       block
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_exptl_crystal_size_min          0.138
_refine_diff_density_max         0.952
_refine_diff_density_min         -0.425
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     118
_refine_ls_number_reflns         1681
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0596
_refine_ls_R_factor_gt           0.0576
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0976P)^2^+4.8728P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1632
_refine_ls_wR_factor_ref         0.1648
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1582
_reflns_number_total             1681
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ao0c00360_si_003.cif
_cod_data_source_block           180209RAL_MO_PCS1_100K_0m_a
_cod_depositor_comments
;Adding full bibliography for 4517784--4517786.cif.

 Adding full bibliography for 4517784--4517786.cif.
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4517785
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.440
_shelx_estimated_absorpt_t_max   0.714
_shelx_res_checksum              73708
_shelx_hkl_checksum              94682