New water-soluble azido- and derived tetrazolato-platinum(ii) complexes with PTA. Easy metal-mediated synthesis and isolation of 5-substituted tetrazoles
Smoleński, Piotr; Mukhopadhyay, Suman; Guedes da Silva, M. Fátima C.; Charmier, M. Adília Januário; Pombeiro, Armando J. L.; Dalton Transactions  (2008) 6546–6555; doi:10.1039/b808156e

data_7004506
_publ_section_title
;
 New water-soluble azido- and derived tetrazolato-platinum(ii)
 complexes with PTA. Easy metal-mediated synthesis and isolation of
 5-substituted tetrazoles
;
_journal_issue                   46
_journal_name_full               'Dalton Transactions'
_journal_page_first              6546
_journal_page_last               6555
_journal_paper_doi               10.1039/b808156e
_journal_year                    2008
_chemical_formula_moiety         'C26 H34 N14 P2 Pt'
_chemical_formula_sum            'C26 H34 N14 P2 Pt'
_chemical_formula_weight         799.70
_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                95.176(19)
_cell_angle_beta                 92.28(2)
_cell_angle_gamma                94.15(2)
_cell_formula_units_Z            2
_cell_length_a                   6.176(2)
_cell_length_b                   16.211(6)
_cell_length_c                   17.019(6)
_cell_measurement_reflns_used    1148
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      23.51
_cell_measurement_theta_min      2.48
_cell_volume                     1690.7(10)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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     0.71069
_diffrn_reflns_av_R_equivalents  0.1264
_diffrn_reflns_av_sigmaI/netI    0.1830
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            14928
_diffrn_reflns_theta_full        25.34
_diffrn_reflns_theta_max         25.34
_diffrn_reflns_theta_min         2.61
_exptl_absorpt_coefficient_mu    4.284
_exptl_absorpt_correction_T_max  0.8473
_exptl_absorpt_correction_T_min  0.5127
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.571
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             792
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_platon_squeeze_details
;
;
_refine_diff_density_max         3.303
_refine_diff_density_min         -2.281
_refine_diff_density_rms         0.285
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         6209
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.976
_refine_ls_R_factor_all          0.1206
_refine_ls_R_factor_gt           0.0787
_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^)+(0.0812P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1723
_refine_ls_wR_factor_ref         0.1906
_reflns_number_gt                4049
_reflns_number_total             6209
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b808156e.txt
_cod_data_source_block           piotrptazoleb
_cod_original_cell_volume        1690.8(11)
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7004506