New heterobimetallic ferrocenyl derivatives are promising antitrypanosomal agents.
Rodríguez Arce, Esteban; Putzu, Eugenia; Lapier, Michel; Maya, Juan Diego; Olea Azar, Claudio; Echeverría, Gustavo A; Piro, Oscar E.; Medeiros, Andrea; Sardi, Florencia; Comini, Marcelo; Risi, Gastón; Salinas, Gustavo; Correia, Isabel; Pessoa, João Costa; Otero, Lucía; Gambino, Dinorah; Dalton transactions (Cambridge, England : 2003) 48 (2019) 7644–7658; doi:10.1039/c9dt01317b

data_7049705
_publ_section_title
;
 New heterobimetallic ferrocenyl derivatives are promising
 antitrypanosomal agents.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7644
_journal_page_last               7658
_journal_paper_doi               10.1039/c9dt01317b
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C42 H37 F6 Fe N4 O3 P3 Pt S'
_chemical_formula_weight         1135.66
_chemical_name_systematic
'1,1'-bis (dipheny1phosphino)ferrocene 5-nitrofuryl-N-ethylthiosemicarbazonato platium(II) hexafluorophosphate''
_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   geom
_atom_sites_solution_primary     'intrinsic phasing'
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-01-15 deposited with the CCDC.    2019-04-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.323(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.7827(3)
_cell_length_b                   10.3154(3)
_cell_length_c                   32.6199(8)
_cell_measurement_reflns_used    8833
_cell_measurement_temperature    297(2)
_cell_measurement_theta_max      29.5320
_cell_measurement_theta_min      3.7180
_cell_volume                     4255.91(19)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      297(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0604
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0593
_diffrn_reflns_av_unetI/netI     0.0577
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            25067
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.998
_diffrn_reflns_theta_min         3.205
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    3.858
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.72164
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.772
_exptl_crystal_description       fragment
_exptl_crystal_F_000             2240
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Dichloromethane-hexane'
_exptl_crystal_size_max          0.356
_exptl_crystal_size_mid          0.118
_exptl_crystal_size_min          0.062
_refine_diff_density_max         1.330
_refine_diff_density_min         -1.537
_refine_diff_density_rms         0.139
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.139
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         9179
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.139
_refine_ls_R_factor_all          0.0537
_refine_ls_R_factor_gt           0.0423
_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^)+(0.0399P)^2^+2.9023P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0946
_refine_ls_wR_factor_ref         0.1000
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7840
_reflns_number_total             9179
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt01317b2.cif
_cod_data_source_block           Pt(dppf)TE
_cod_depositor_comments
'Adding full bibliography for 7049704--7049707.cif.'
_cod_database_code               7049705
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.340
_shelx_estimated_absorpt_t_max   0.796
_shelx_res_checksum              60909