Novel "ruthenium cyclopentadienyl"-peptide conjugate complexes against human FGFR(+) breast cancer.
Franco Machado, João; Machuqueiro, Miguel; Marques, Fernanda; Robalo, M. Paula; Piedade, M Fátima M; Garcia, M. Helena; Correia, João D G; Morais, Tânia S; Dalton transactions (Cambridge, England : 2003) 49 (2020) 5974–5987; doi:10.1039/d0dt00955e

data_7704001
_publ_section_title
;
 Novel &quot;ruthenium cyclopentadienyl&quot;-peptide conjugate complexes
 against human FGFR(+) breast cancer.
;
_journal_issue                   18
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5974
_journal_page_last               5987
_journal_paper_doi               10.1039/d0dt00955e
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C35 H28 F3 N2 O5 P Ru S'
_chemical_formula_weight         777.69
_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'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2020-03-02 deposited with the CCDC.	2020-04-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 95.282(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.5328(8)
_cell_length_b                   12.3220(8)
_cell_length_c                   24.8165(18)
_cell_measurement_reflns_used    5404
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.36
_cell_measurement_theta_min      2.33
_cell_volume                     3207.1(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 0.998
_diffrn_measured_fraction_theta_max 0.995
_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  0.0672
_diffrn_reflns_av_unetI/netI     0.0618
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
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_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -29
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_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.456
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_exptl_absorpt_coefficient_mu    0.668
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6725
_exptl_absorpt_correction_type   psi-scans
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.611
_exptl_crystal_description       prism
_exptl_crystal_F_000             1576
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.350
_exptl_crystal_size_min          0.300
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_refine_diff_density_min         -0.474
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         6594
_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.0499
_refine_ls_R_factor_gt           0.0347
_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^)+(0.0215P)^2^+1.1444P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0738
_refine_ls_wR_factor_ref         0.0802
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5273
_reflns_number_total             6594
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt00955e2.cif
_cod_data_source_block           shelx_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7704000--7704001.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7704001
_shelx_estimated_absorpt_t_min   0.753
_shelx_estimated_absorpt_t_max   0.825
_shelxl_version_number           2013-4
_shelx_res_checksum              71726