Investigation on the antitrypanosomal effects of 2-formyl-8-hydroxyquinoline-derived hydrazones and their antimony(III) and bismuth(III) complexes
Oliveira, Ana A.; Recio-Despaigne, Angel; Ferreira, Isabella Pires; Diniz, Renata; Sousa, Karoline; Bastos, Tanira; Soares, Milena Botelho; Moreira, Diogo R.; Beraldo, Heloisa; New Journal of Chemistry 43 (2019) 18996–19002; doi:10.1039/C9NJ02676B

data_7058891
_publ_section_title
;
 Investigation on the antitrypanosomal effects of
 2-formyl-8-hydroxyquinoline-derived hydrazones and their antimony(III)
 and bismuth(III) complexes
;
_journal_issue                   48
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              18996
_journal_page_last               19002
_journal_paper_doi               10.1039/C9NJ02676B
_journal_volume                  43
_journal_year                    2019
_chemical_formula_sum            'C29 H39 Cl2 N8 O8 Sb'
_chemical_formula_weight         820.33
_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'
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_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2019-04-27T17:36:14-00:00
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_audit_update_record
;
2019-04-28 deposited with the CCDC.    2019-10-13 downloaded from the CCDC.
;
_cell_angle_alpha                102.036(4)
_cell_angle_beta                 100.383(4)
_cell_angle_gamma                93.829(4)
_cell_formula_units_Z            2
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_cell_length_b                   12.0943(6)
_cell_length_c                   16.3348(8)
_cell_measurement_reflns_used    5738
_cell_measurement_temperature    270(2)
_cell_measurement_theta_max      30.351
_cell_measurement_theta_min      2.131
_cell_volume                     1810.32(16)
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;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
        (compiled May 22 2014,16:03:01)
;
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        CrysAlisPro, Agilent Technologies,
        Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
        (compiled May 22 2014,16:03:01)
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        CrysAlisPro, Agilent Technologies,
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        (compiled May 22 2014,16:03:01)
;
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      270(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4186
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_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      -0.0101225
_diffrn_orient_matrix_UB_12      0.0459612
_diffrn_orient_matrix_UB_13      -0.0204615
_diffrn_orient_matrix_UB_21      -0.0198413
_diffrn_orient_matrix_UB_22      -0.0389818
_diffrn_orient_matrix_UB_23      -0.0401748
_diffrn_orient_matrix_UB_31      -0.0723525
_diffrn_orient_matrix_UB_32      -0.0025866
_diffrn_orient_matrix_UB_33      0.004449
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0336
_diffrn_reflns_av_unetI/netI     0.0521
_diffrn_reflns_Laue_measured_fraction_full 1
_diffrn_reflns_Laue_measured_fraction_max 1
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            21771
_diffrn_reflns_point_group_measured_fraction_full 1
_diffrn_reflns_point_group_measured_fraction_max 1
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.508
_diffrn_reflns_theta_min         1.918
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.967
_exptl_absorpt_correction_T_max  0.984
_exptl_absorpt_correction_T_min  0.886
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
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Analytical numeric absorption correction using a multifaceted crystal
                        model based on expressions derived by R.C. Clark & J.S.
        (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
        Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.505
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             836
_exptl_crystal_size_max          0.481
_exptl_crystal_size_mid          0.0607
_exptl_crystal_size_min          0.0346
_refine_diff_density_max         0.636
_refine_diff_density_min         -0.69
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     456
_refine_ls_number_reflns         11054
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0647
_refine_ls_R_factor_gt           0.0394
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0353P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0782
_refine_ls_wR_factor_ref         0.0906
_reflns_Friedel_coverage         0
_reflns_number_gt                8345
_reflns_number_total             11054
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9nj02676b4.cif
_cod_data_source_block           qpno2phsb-3
_cod_database_code               7058891
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