The first examples of platinum amine hydroxamate complexes: structures and biological activity
Failes, Timothy W.; Hall, Matthew D.; Hambley, Trevor W.; Dalton Transactions  (2003) 1596–; doi:10.1039/b212553f

data_7012637
_publ_section_title
;
 The first examples of platinum amine hydroxamate complexes: structures
 and biological activity
;
_journal_issue                   8
_journal_name_full               'Dalton Transactions'
_journal_page_first              1596
_journal_paper_doi               10.1039/b212553f
_journal_year                    2003
_chemical_formula_moiety         '[{Pt(R,R-chxn)}2-u-(bha-H)]NO3'
_chemical_formula_sum            'C19 H36 N6 O7 Pt2'
_chemical_formula_weight         850.70
_chemical_name_systematic
;
?
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.141(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.704(3)
_cell_length_b                   23.505(8)
_cell_length_c                   15.251(5)
_cell_measurement_temperature    150(2)
_cell_volume                     2726.6(17)
_computing_cell_refinement       SMART
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    WINGX
_computing_publication_material  ORTEP
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SHELXS-97
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.949
_diffrn_measured_fraction_theta_max 0.949
_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  0.0563
_diffrn_reflns_av_sigmaI/netI    0.0542
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            24663
_diffrn_reflns_theta_full        28.31
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         1.35
_exptl_absorpt_coefficient_mu    10.296
_exptl_absorpt_correction_T_max  0.2326
_exptl_absorpt_correction_T_min  0.1045
_exptl_absorpt_correction_type   semi-empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.062
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1600
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         4.890
_refine_diff_density_min         -1.452
_refine_diff_density_rms         0.265
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.44(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     614
_refine_ls_number_reflns         6601
_refine_ls_number_restraints     97
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0860
_refine_ls_R_factor_gt           0.0563
_refine_ls_shift/su_max          0.056
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0808P)^2^+21.2894P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1383
_refine_ls_wR_factor_ref         0.1587
_reflns_number_gt                5062
_reflns_number_total             6601
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b212553f.txt
_cod_data_source_block           twf32
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2726.7(15)
_cod_original_sg_symbol_H-M      P2(1)
_cod_database_code               7012637