Platinum Complex as a Nanomolar Protein Kinase Inhibitor
Douglas S. Williams; Patrick J. Carroll; Eric Meggers; Inorganic Chemistry 46 (2007) 2944–2946; doi:10.1021/ic062055t

data_4307556
_publ_section_title
;
Platinum Complex as a Nanomolar Protein Kinase Inhibitor
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2944
_journal_page_last               2946
_journal_paper_doi               10.1021/ic062055t
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C98 H111 Cl3 N12 O14 Pt3 Si4'
_chemical_formula_weight         2484.97
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 112.6760(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.1297(5)
_cell_length_b                   43.1511(11)
_cell_length_c                   14.8137(4)
_cell_measurement_temperature    143(1)
_cell_volume                     10103.4(5)
_computing_data_collection       'CrystalClear (Rigaku, 1999)'
_computing_data_reduction        'CrystalClear (Rigaku, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare, 1999)'
_diffrn_ambient_temperature      143(1)
_diffrn_measured_fraction_theta_full 0.941
_diffrn_measured_fraction_theta_max 0.941
_diffrn_measurement_device       'CCD Area Detector'
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       'phi and omega rotations'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0424
_diffrn_reflns_av_sigmaI/netI    0.0333
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       55
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            83951
_diffrn_reflns_theta_full        27.56
_diffrn_reflns_theta_max         27.56
_diffrn_reflns_theta_min         2.58
_exptl_absorpt_coefficient_mu    4.338
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.9052
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.634
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4944
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         3.606
_refine_diff_density_min         -1.983
_refine_diff_density_rms         0.152
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.161
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1168
_refine_ls_number_reflns         21982
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.161
_refine_ls_R_factor_all          0.0759
_refine_ls_R_factor_gt           0.0642
_refine_ls_shift/su_max          1.632
_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0372P)^2^+101.2572P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1418
_refine_ls_wR_factor_ref         0.1469
_reflns_number_gt                18663
_reflns_number_total             21982
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic062055t-file003_2.cif
_cod_data_source_block           9622m
_cod_original_cell_volume        10103.3(5)
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_database_code               4307556