Enhanced cytotoxicity of indenyl molybdenum(ii) compounds bearing a thiophene function.
Mrózek, Ondřej; Melounková, Lucie; Dostál, Libor; Císařová, Ivana; Eisner, Aleš; Havelek, Radim; Peterová, Eva; Honzíček, Jan; Vinklárek, Jaromír; Dalton transactions (Cambridge, England : 2003) 48 (2019) 11361–11373; doi:10.1039/c9dt01698h

data_7700372
_publ_section_title
;
 Enhanced cytotoxicity of indenyl molybdenum(ii) compounds bearing a
 thiophene function.
;
_journal_issue                   30
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11361
_journal_page_last               11373
_journal_paper_doi               10.1039/c9dt01698h
_journal_volume                  48
_journal_year                    2019
_chemical_compound_source        'synthesized by the authors'
_chemical_formula_moiety         'C19 H16 Mo O2 S'
_chemical_formula_sum            'C19 H16 Mo O2 S'
_chemical_formula_weight         404.32
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-06-03 deposited with the CCDC.    2019-06-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.207(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_c                   20.7926(14)
_cell_measurement_reflns_used    9984
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.5188
_cell_measurement_theta_min      2.5011
_cell_volume                     1619.5(2)
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_collection       'Bruker Instrument Service vV6.2.6'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 VENTURE Kappa Duo PHOTON 100 CMOS'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'Quazar Mo multilayer optic'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_source                   'I\mS  micro-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.945
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_exptl_absorpt_correction_T_min  0.78
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            orange
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_exptl_crystal_description       prism
_exptl_crystal_F_000             816
_exptl_crystal_size_max          0.365
_exptl_crystal_size_mid          0.234
_exptl_crystal_size_min          0.191
_refine_diff_density_max         0.497
_refine_diff_density_min         -0.763
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_refine_ls_extinction_method     none
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_refine_ls_number_restraints     15
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_refine_ls_R_factor_all          0.0229
_refine_ls_R_factor_gt           0.0223
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0283P)^2^+1.5890P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0571
_refine_ls_wR_factor_ref         0.0574
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3643
_reflns_number_total             3734
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt01698h2.cif
_cod_data_source_block           mo_jv181001mo_vinklarek
_cod_depositor_comments
'Adding full bibliography for 7700371--7700372.cif.'
_cod_database_code               7700372
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.724
_shelx_estimated_absorpt_t_max   0.840
_shelx_res_checksum              4707