Microwave synthesis of mono- and bis-tetrazolato complexes via 1,3-dipolar cycloaddition of organonitriles with platinum(ii)-bound azides
Mukhopadhyay, Suman; Lasri, Jamal; Januário Charmier, M. Adília; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.; Dalton Transactions  (2007) 5297–; doi:10.1039/b709959b

data_7006206
_publ_section_title
;
 Microwave synthesis of mono- and bis-tetrazolato complexes via
 1,3-dipolar cycloaddition of organonitriles with platinum(ii)-bound
 azides
;
_journal_issue                   45
_journal_name_full               'Dalton Transactions'
_journal_page_first              5297
_journal_paper_doi               10.1039/b709959b
_journal_year                    2007
_chemical_formula_moiety         'C50 H40 N8 P2 Pt'
_chemical_formula_sum            'C50 H40 N8 P2 Pt'
_chemical_formula_weight         1009.93
_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                69.5140(10)
_cell_angle_beta                 81.6740(10)
_cell_angle_gamma                83.3340(10)
_cell_formula_units_Z            1
_cell_length_a                   8.45380(10)
_cell_length_b                   11.6212(2)
_cell_length_c                   11.9546(2)
_cell_measurement_reflns_used    4806
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.78
_cell_measurement_theta_min      2.44
_cell_volume                     1085.87(3)
_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 0.980
_diffrn_measured_fraction_theta_max 0.980
_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  0.0390
_diffrn_reflns_av_sigmaI/netI    0.0529
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            18352
_diffrn_reflns_theta_full        29.57
_diffrn_reflns_theta_max         29.57
_diffrn_reflns_theta_min         2.88
_exptl_absorpt_coefficient_mu    3.350
_exptl_absorpt_correction_T_max  0.771
_exptl_absorpt_correction_T_min  0.718
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.544
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             504
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.852
_refine_diff_density_min         -2.681
_refine_diff_density_rms         0.184
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    calc
_refine_ls_matrix_type           full
_refine_ls_number_parameters     277
_refine_ls_number_reflns         5974
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0429
_refine_ls_R_factor_gt           0.0224
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0258P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0476
_refine_ls_wR_factor_ref         0.0512
_reflns_number_gt                5634
_reflns_number_total             5974
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b709959b.txt
_cod_data_source_block           sm_c67
_cod_original_cell_volume        1085.88(3)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7006206