New [(η(5)-C5H5)Ru(N-N)(PPh3)][PF6] compounds: colon anticancer activity and GLUT-mediated cellular uptake of carbohydrate-appended complexes.
Florindo, Pedro R.; Pereira, Diane M.; Borralho, Pedro M.; Costa, Paulo J.; Piedade, M. F. M.; Rodrigues, Cecília M P; Fernandes, Ana C.; Dalton transactions (Cambridge, England : 2003) 45 (2016) 11926–11930; doi:10.1039/c6dt01571a

data_7039255
_publ_section_title
;
 New [(\h(5)-C5H5)Ru(N-N)(PPh3)][PF6] compounds: colon anticancer activity
 and GLUT-mediated cellular uptake of carbohydrate-appended complexes.
;
_journal_issue                   30
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11926
_journal_page_last               11930
_journal_paper_doi               10.1039/c6dt01571a
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C47 H36 F6 N2 P2 Ru'
_chemical_formula_weight         905.79
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2015-12-23 deposited with the CCDC.
2016-05-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.309(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_c                   20.7137(11)
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_cell_measurement_temperature    150(2)
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_cell_measurement_theta_min      2.39
_cell_volume                     3839.3(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.959
_diffrn_measured_fraction_theta_max 0.952
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0547
_diffrn_reflns_av_unetI/netI     0.0660
_diffrn_reflns_Laue_measured_fraction_full 0.959
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_diffrn_reflns_number            25792
_diffrn_reflns_point_group_measured_fraction_full 0.959
_diffrn_reflns_point_group_measured_fraction_max 0.952
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.035
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_exptl_absorpt_coefficient_mu    0.560
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_exptl_absorpt_correction_T_min  0.5812
_exptl_absorpt_correction_type   psi-scans
_exptl_crystal_colour            red
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_exptl_crystal_size_mid          0.200
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_refine_ls_extinction_method     none
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_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.1160
_refine_ls_R_factor_gt           0.0684
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0481P)^2^+29.6439P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1515
_refine_ls_wR_factor_ref         0.1795
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4971
_reflns_number_total             7212
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt01571a2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7039254--7039256.cif.'
_cod_database_code               7039255
_shelx_estimated_absorpt_t_min   0.828
_shelx_estimated_absorpt_t_max   0.921
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_shelx_res_checksum              48393