Organometallic Pyridylnaphthalimide Complexes as Protein Kinase Inhibitors.
Blanck, Sebastian; Cruchter, Thomas; Vultur, Adina; Riedel, Radostan; Harms, Klaus; Herlyn, Meenhard; Meggers, Eric; Organometallics 30 (2011) 4598–4606; doi:10.1021/om200366r

data_4064854
_publ_section_title
;
 Organometallic Pyridylnaphthalimide Complexes as Protein Kinase
 Inhibitors.
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              4598
_journal_page_last               4606
_journal_paper_doi               10.1021/om200366r
_journal_volume                  30
_journal_year                    2011
_chemical_formula_moiety         'C32 H37 F6 N4 O4 P1 Ru1 S3'
_chemical_formula_sum            'C32 H37 F6 N4 O4 P Ru S3'
_chemical_formula_weight         883.88
_chemical_name_systematic        ?
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                102.734(2)
_cell_angle_beta                 95.437(3)
_cell_angle_gamma                99.004(3)
_cell_formula_units_Z            4
_cell_length_a                   12.6950(4)
_cell_length_b                   14.1048(4)
_cell_length_c                   21.4127(7)
_cell_measurement_reflns_used    35922
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      4.5
_cell_volume                     3660.4(2)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-AREA'
_computing_molecular_graphics    'DIAMOND 3.2 (Crystal Impact)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR2008
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0617
_diffrn_reflns_av_sigmaI/netI    0.0591
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            30193
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         4.65
_exptl_absorpt_coefficient_mu    0.716
_exptl_absorpt_correction_T_max  0.955
_exptl_absorpt_correction_T_min  0.7979
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            vellow
_exptl_crystal_density_diffrn    1.604
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1800
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.949
_refine_diff_density_min         -0.688
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     960
_refine_ls_number_reflns         12812
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0667
_refine_ls_R_factor_gt           0.0505
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0852P)^2^+1.0712P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1285
_refine_ls_wR_factor_ref         0.1358
_reflns_number_gt                10114
_reflns_number_total             12812
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om200366r_si_002.cif
_cod_data_source_block           7
_cod_database_code               4064854