Soluble Single-Walled Carbon Nanotubes as Longboat Delivery Systems for Platinum(IV) Anticancer Drug Design
Rodney P. Feazell; Nozomi Nakayama-Ratchford; Hongjie Dai; Stephen J. Lippard; Journal of the American Chemical Society 129 (2007) 8438–8439; doi:10.1021/ja073231f

data_4109640
_publ_section_title
;
 Soluble Single-Walled Carbon Nanotubes as Longboat Delivery Systems for
 Platinum(IV) Anticancer Drug Design
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8438
_journal_page_last               8439
_journal_paper_doi               10.1021/ja073231f
_journal_volume                  129
_journal_year                    2007
_chemical_formula_moiety
'C6 H16 Cl2 N2 O5 Pt, C6 H13 Cl2 N2 O5 Pt, 2(C2 H6 O S), H2 O'
_chemical_formula_sum            'C16 H43 Cl4 N4 O13 Pt2 S2'
_chemical_formula_weight         1095.64
_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                95.107(2)
_cell_angle_beta                 101.9130(10)
_cell_angle_gamma                105.4030(10)
_cell_formula_units_Z            2
_cell_length_a                   10.4084(10)
_cell_length_b                   13.4073(12)
_cell_length_c                   13.5183(12)
_cell_measurement_reflns_used    7062
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      27.98
_cell_measurement_theta_min      2.98
_cell_volume                     1758.7(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0997
_diffrn_reflns_av_sigmaI/netI    0.0770
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            26167
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.57
_exptl_absorpt_coefficient_mu    8.425
_exptl_absorpt_correction_T_max  0.431
_exptl_absorpt_correction_T_min  0.378
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.069
_exptl_crystal_description       plate
_exptl_crystal_F_000             1054
_exptl_crystal_size_max          .15
_exptl_crystal_size_mid          .1
_exptl_crystal_size_min          .1
_refine_diff_density_max         3.312
_refine_diff_density_min         -2.086
_refine_diff_density_rms         0.252
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.997
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     383
_refine_ls_number_reflns         7133
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      0.997
_refine_ls_R_factor_all          0.0657
_refine_ls_R_factor_gt           0.0483
_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^)+(0.0688P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1241
_refine_ls_wR_factor_ref         0.1316
_reflns_number_gt                5208
_reflns_number_total             7133
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja073231from20070507_033057.cif
_cod_data_source_block           rpfiv
_cod_database_code               4109640