A novel ruthenium(ii) gallic acid complex disrupts the actin cytoskeleton and inhibits migration, invasion and adhesion of triple negative breast tumor cells.
Graminha, Angelica E.; Honorato, João; Correa, Rodrigo S.; Cominetti, Marcia R.; Menezes, Antônio C S; Batista, Alzir A.; Dalton transactions (Cambridge, England : 2003) 50 (2021) 323–335; doi:10.1039/d0dt03490h

data_7705747
_publ_section_title
;
 A novel ruthenium(ii) gallic acid complex disrupts the actin cytoskeleton
 and inhibits migration, invasion and adhesion of triple negative breast
 tumor cells.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              323
_journal_page_last               335
_journal_paper_doi               10.1039/d0dt03490h
_journal_volume                  50
_journal_year                    2021
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         '4(C45 H41 N2 O2 P2 Ru), 4(F6 P), H2 O'
_chemical_formula_sum            'C90 H83 F12 N4 O4.5 P6 Ru2'
_chemical_formula_weight         1908.56
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.5
_audit_creation_date             2020-11-17T12:23:20-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2020-11-17 deposited with the CCDC.	2020-11-24 downloaded from the CCDC.
;
_cell_angle_alpha                110.196(1)
_cell_angle_beta                 97.478(1)
_cell_angle_gamma                99.273(1)
_cell_formula_units_Z            2
_cell_length_a                   11.7551(2)
_cell_length_b                   17.4930(4)
_cell_length_c                   22.9633(4)
_cell_measurement_reflns_used    16723
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.242
_cell_measurement_theta_min      3.04
_cell_measurement_wavelength     0.71073
_cell_volume                     4284.88(15)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'MERCURY (Macrae et al., 2008)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2015)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device       '95mm CCD camera on \k-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_orient_matrix_UB_11      -0.024683
_diffrn_orient_matrix_UB_12      0.044421
_diffrn_orient_matrix_UB_13      -0.013513
_diffrn_orient_matrix_UB_21      -0.056327
_diffrn_orient_matrix_UB_22      0.007299
_diffrn_orient_matrix_UB_23      0.029564
_diffrn_orient_matrix_UB_31      0.062922
_diffrn_orient_matrix_UB_32      0.043301
_diffrn_orient_matrix_UB_33      0.034447
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0777
_diffrn_reflns_av_unetI/netI     0.0609
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            72618
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_reduction_process
;
        Scaled and merged with Sortav
        R.H. Blessing, (1987) Cryst. Rev. 1, 3-58
        R.H. Blessing, (1989) J. Appl. Cryst. 22, 396-397
;
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.093
_diffrn_reflns_theta_min         3.017
_diffrn_source                   'Enraf Nonius FR590'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.545
_exptl_absorpt_correction_T_max  0.925
_exptl_absorpt_correction_T_min  0.783
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
        P. Coppens, L. Leiserowitz, D Rabinovich, Acta Cryst.
        (1965), 18, 1035-1038
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.479
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1946
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.009
_refine_diff_density_min         -0.8
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     1072
_refine_ls_number_reflns         16813
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0931
_refine_ls_R_factor_gt           0.0597
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1201P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1599
_refine_ls_wR_factor_ref         0.1815
_reflns_Friedel_coverage         0
_reflns_number_gt                11528
_reflns_number_total             16813
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt03490h2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7705747--7705748.cif.'
_cod_original_formula_sum        'C90 H83 F12 N4 O4.50 P6 Ru2'
_cod_database_code               7705747
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              67192
_publcif_funding_html
;
;