New antitumour active platinum compounds containing carboxylate ligands in trans geometry: synthesis, crystal structure and biological activity.
van Zutphen, Steven; Pantoja, Elena; Soriano, Rosario; Soro, Carlos; Tooke, Duncan M.; Spek, Anthony L.; den Dulk, Hans; Brouwer, Jaap; Reedijk, Jan; Dalton transactions (Cambridge, England : 2003)  (2006) 1020–1023; doi:10.1039/b512357g

data_7006635
_publ_section_title
;
 New antitumour active platinum compounds containing carboxylate
 ligands in trans geometry: synthesis, crystal structure and biological
 activity.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1020
_journal_page_last               1023
_journal_paper_doi               10.1039/b512357g
_journal_year                    2006
_chemical_formula_moiety         'C11 H21 N3 O4 Pt, H2 O'
_chemical_formula_sum            'C11 H23 N3 O5 Pt'
_chemical_formula_weight         472.41
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     directe
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 123.406(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.8064(6)
_cell_length_b                   12.5128(7)
_cell_length_c                   15.6712(11)
_cell_measurement_temperature    150(2)
_cell_volume                     1605.3(2)
_computing_cell_refinement       Denzo
_computing_data_collection       'Nonius Collect (Hooft, 2005)'
_computing_data_reduction        Denzo
_computing_molecular_graphics    'PLATON (Spek, 2005)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIDRDIF99 (Beurskens et al. 1999)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'omega and phi-scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0666
_diffrn_reflns_av_sigmaI/netI    0.0545
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            25395
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         2.25
_exptl_absorpt_coefficient_mu    8.762
_exptl_absorpt_correction_T_max  0.5
_exptl_absorpt_correction_T_min  0.34
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.955
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             912
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.814
_refine_diff_density_min         -1.220
_refine_diff_density_rms         0.162
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     194
_refine_ls_number_reflns         3675
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0604
_refine_ls_R_factor_gt           0.0287
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0214P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0459
_refine_ls_wR_factor_ref         0.0519
_reflns_number_gt                2678
_reflns_number_total             3675
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            b512357g.txt
_cod_data_source_block           s3160a
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7006635