Biological evaluation of non-steroidal anti-inflammatory drugs-cobalt(II) complexes.
Dimiza, Filitsa; Papadopoulos, Athanasios N.; Tangoulis, Vassilis; Psycharis, Vassilis; Raptopoulou, Catherine P.; Kessissoglou, Dimitris P.; Psomas, George; Dalton transactions (Cambridge, England : 2003) 39 (2010) 4517–4528; doi:10.1039/b927472c

data_7025377
_publ_section_title
;
 Biological evaluation of non-steroidal anti-inflammatory drugs-cobalt(II)
 complexes.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4517
_journal_page_last               4528
_journal_paper_doi               10.1039/b927472c
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C36 H52 Co N2 O10'
_chemical_formula_weight         731.73
_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                90.2790(10)
_cell_angle_beta                 99.2940(10)
_cell_angle_gamma                92.7690(10)
_cell_formula_units_Z            1
_cell_length_a                   7.66020(10)
_cell_length_b                   7.88870(10)
_cell_length_c                   15.7633(3)
_cell_measurement_reflns_used    12175
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      71.75
_cell_measurement_theta_min      6.92
_cell_volume                     938.88(2)
_computing_cell_refinement       'CrystalClear, Rigaku MSC, 2005'
_computing_data_collection       'CrystalClear, Rigaku MSC, 2005'
_computing_data_reduction        'CrystalClear, Rigaku MSC, 2005'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.929
_diffrn_measured_fraction_theta_max 0.929
_diffrn_measurement_device_type  'Rigaku, R-AXIS SPIDER IPDS'
_diffrn_measurement_method       '\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0294
_diffrn_reflns_av_sigmaI/netI    0.0280
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            11946
_diffrn_reflns_theta_full        65.00
_diffrn_reflns_theta_max         65.00
_diffrn_reflns_theta_min         6.92
_exptl_absorpt_coefficient_mu    4.053
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.724
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'CrystalClear, Rigaku MSC, 2005'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.294
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parall
_exptl_crystal_F_000             389
_exptl_crystal_size_max          0.75
_exptl_crystal_size_mid          0.67
_exptl_crystal_size_min          0.31
_refine_diff_density_max         0.725
_refine_diff_density_min         -0.673
_refine_diff_density_rms         0.059
_refine_ls_extinction_coef       0.0133(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.125
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     270
_refine_ls_number_reflns         2968
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.125
_refine_ls_R_factor_all          0.0550
_refine_ls_R_factor_gt           0.0523
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0686P)^2^+0.8212P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1344
_refine_ls_wR_factor_ref         0.1365
_reflns_number_gt                2743
_reflns_number_total             2968
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b927472c.txt
_cod_data_source_block           psfd27
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7025377