Structurally related hydrazone-based metal complexes with different antitumor activities variably induce apoptotic cell death.
Megger, Dominik A.; Rosowski, Kristin; Radunsky, Christian; Kösters, Jutta; Sitek, Barbara; Müller, Jens; Dalton transactions (Cambridge, England : 2003) 46 (2017) 4759–4767; doi:10.1039/c6dt04613d

data_7042518
_publ_section_title
;
 Structurally related hydrazone-based metal complexes with different
 antitumor activities variably induce apoptotic cell death.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4759
_journal_page_last               4767
_journal_paper_doi               10.1039/c6dt04613d
_journal_volume                  46
_journal_year                    2017
_chemical_formula_sum            'C24 H30 Cl4 Mn2 N8 O3'
_chemical_formula_weight         730.24
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_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   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-10-20 deposited with the CCDC.
2017-03-17 downloaded from the CCDC.
;
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_cell_angle_beta                 101.4300(10)
_cell_angle_gamma                109.0230(10)
_cell_formula_units_Z            1
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_cell_length_c                   11.6995(2)
_cell_measurement_reflns_used    7866
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      30.09
_cell_measurement_theta_min      2.59
_cell_volume                     734.70(2)
_computing_cell_refinement       'SAINT V8.18C (Bruker AXS Inc.)'
_computing_data_collection       'APEX2 v2012.2-0'
_computing_data_reduction        'SAINT V8.18C (Bruker AXS Inc.)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'APEX-II CCD-detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0163
_diffrn_reflns_av_unetI/netI     0.0172
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
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_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12944
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.992
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_diffrn_reflns_theta_max         30.093
_diffrn_reflns_theta_min         1.813
_diffrn_source                   Microfocus
_exptl_absorpt_coefficient_mu    1.266
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_correction_T_min  0.6570
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.650
_exptl_crystal_description       wedge
_exptl_crystal_F_000             372
_exptl_crystal_size_max          0.418
_exptl_crystal_size_mid          0.354
_exptl_crystal_size_min          0.308
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_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     234
_refine_ls_number_reflns         4284
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0278
_refine_ls_R_factor_gt           0.0248
_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^)+(0.0323P)^2^+0.3120P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0641
_refine_ls_wR_factor_ref         0.0661
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3915
_reflns_number_total             4284
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt04613d2.cif
_cod_data_source_block           cr170412_0m
_cod_depositor_comments
'Adding full bibliography for 7042517--7042519.cif.'
_cod_database_code               7042518
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.620
_shelx_estimated_absorpt_t_max   0.696
_shelx_res_checksum              51411