Synthesis, characterization and reactivity of carbohydrate platinum(IV) complexes with thioglycoside ligands.
Vetter, Cornelia; Pornsuriyasak, Papapida; Schmidt, Jürgen; Rath, Nigam P.; Rüffer, Tobias; Demchenko, Alexei V.; Steinborn, Dirk; Dalton transactions (Cambridge, England : 2003) 39 (2010) 6327–6338; doi:10.1039/b927058b

data_7025328
_publ_section_title
;
 Synthesis, characterization and reactivity of carbohydrate platinum(IV)
 complexes with thioglycoside ligands.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6327
_journal_page_last               6338
_journal_paper_doi               10.1039/b927058b
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C50 H48 B F4 N3 O9 Pt S2'
_chemical_formula_weight         1180.935
_chemical_name_systematic
;
?
;
_space_group_IT_number           92
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   22.1611(9)
_cell_length_b                   22.1611(9)
_cell_length_c                   43.735(2)
_cell_measurement_reflns_used    4508
_cell_measurement_temperature    100
_cell_measurement_theta_max      61.9997
_cell_measurement_theta_min      3.0269
_cell_volume                     21478.9(16)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.37 (release 24-10-2008 CrysAlis171 .NET)
(compiled Oct 24 2008,09:44:38)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.37 (release 24-10-2008 CrysAlis171 .NET)
(compiled Oct 24 2008,09:44:38)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.37 (release 24-10-2008 CrysAlis171 .NET)
(compiled Oct 24 2008,09:44:38)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'oxford gemini s'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.1328
_diffrn_reflns_av_sigmaI/netI    0.3425
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_number            66857
_diffrn_reflns_theta_full        61.49
_diffrn_reflns_theta_max         61.49
_diffrn_reflns_theta_min         4.47
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 50
_diffrn_standards_interval_time  10
_diffrn_standards_number         1
_exptl_absorpt_coefficient_mu    6.194
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.461
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             9472
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.009
_refine_diff_density_min         -0.519
_refine_diff_density_rms         0.092
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.044(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.617
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1103
_refine_ls_number_reflns         16385
_refine_ls_number_restraints     1332
_refine_ls_restrained_S_all      0.621
_refine_ls_R_factor_all          0.1755
_refine_ls_R_factor_gt           0.0481
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0243P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0785
_refine_ls_wR_factor_ref         0.0966
_reflns_number_gt                4582
_reflns_number_total             16385
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b927058b.txt
_cod_data_source_block           conny2
_cod_original_cell_volume        21479.0(16)
_cod_original_sg_symbol_H-M      P4(1)2(1)2
_cod_database_code               7025328