Platinum(IV) Complexes with Dipeptide. X-ray Crystal Structure, 195Pt NMR Spectra, and Their Inhibitory Glucose Metabolism Activity inCandidaalbicans
Masatoshi Watabe; Masahiro Kai; Seiichi Asanuma; Mituha Yoshikane; Akira Horiuchi; Ayako Ogasawara; Toshihiko Watanabe; Takeshi Mikami; Tatsuji Matsumoto; Inorganic Chemistry 40 (2001) 1496–1500; doi:10.1021/ic000686w

data_4319436
_publ_section_title
;
 Platinum(IV) Complexes with Dipeptide. X-ray Crystal Structure, 195Pt NMR
 Spectra, and Their Inhibitory Glucose Metabolism Activity
 inCandidaalbicans
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1496
_journal_page_last               1500
_journal_paper_doi               10.1021/ic000686w
_journal_volume                  40
_journal_year                    2001
_chemical_compound_source        Kogakuin
_chemical_formula_moiety         'Pt1 K1 Cl3 O4 N2 C4 H8'
_chemical_formula_sum            'C4 H8 Cl3 K N2 O4 Pt'
_chemical_formula_weight         488.65
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           'International Tables (1974)'
_cell_angle_alpha                90.000000(0)
_cell_angle_beta                 97.01(2)
_cell_angle_gamma                90.000000(0)
_cell_formula_units_Z            4
_cell_length_a                   10.540(2)
_cell_length_b                   13.835(3)
_cell_length_c                   8.123(3)
_cell_measurement_reflns_used    22
_cell_measurement_temperature    298
_cell_measurement_theta_max      60
_cell_measurement_theta_min      5
_cell_volume                     1175.6(6)
_computing_cell_refinement       'MXC(MAC Science)'
_computing_data_collection       'MXC(MAC Science)'
_computing_data_reduction        Crystan
_computing_molecular_graphics    Crystan
_computing_publication_material  Crystan
_computing_structure_refinement  Crystan
_computing_structure_solution    Crystan
_diffrn_measurement_device       'Mac Science MXC18'
_diffrn_measurement_method       theta/2theta
_diffrn_orient_matrix_type       standard
_diffrn_orient_matrix_UB_11      -0.08721
_diffrn_orient_matrix_UB_12      -0.02815
_diffrn_orient_matrix_UB_13      0.00161
_diffrn_orient_matrix_UB_21      0.03866
_diffrn_orient_matrix_UB_22      -0.06545
_diffrn_orient_matrix_UB_23      0.02209
_diffrn_orient_matrix_UB_31      0.00600
_diffrn_orient_matrix_UB_32      0.01213
_diffrn_orient_matrix_UB_33      0.12203
_diffrn_radiation_type           'Mo K-alpha'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.018
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3114
_diffrn_reflns_theta_max         26.47
_exptl_absorpt_coefficient_mu    130.97
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'Pale Yellow'
_exptl_crystal_density_diffrn    2.760
_exptl_crystal_density_meas      2.750
_exptl_crystal_description       Needle
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.20
_refine_diff_density_min         -3.45
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_obs   1.124
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     160
_refine_ls_number_reflns         2485
_refine_ls_R_factor_obs          0.031
_refine_ls_shift/esd_max         0.4268
_refine_ls_shift/esd_mean        0.0402
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      'Count statistics'
_refine_ls_wR_factor_obs         0.042
_reflns_number_observed          2485
_reflns_number_total             2589
_reflns_observed_criterion       refl_observed_if_I_>_2.00_sigma(I)
_cod_data_source_file            ic000686w.cif
_cod_data_source_block           KPtdGlyCl3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 15 times.

'_symmetry_cell_setting' value 'Monoclinic'
changed to 'monoclinic' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        1175.7(5)
_cod_original_sg_symbol_H-M      'P 21/n '
_cod_original_formula_sum        'Pt1 K1 Cl3 O4 N2 C4 H8'
_cod_database_code               4319436