A New Example of μ-3-Sulfato Coordination in a Cd(II) Complex of 5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidine (dmtp). Characterisation and Biological Activity of Several Metal Complexes of dmtp Containing the Sulfato Anion
Abderrahman Rahmani; M. Angustias Romero; Juan M. Salas; Miguel Quirós; Gerardo Álvarez de Cienfuegos; Inorganica Chimica Acta 247 (1996) 51–55; doi:10.1016/0020-1693(95)04829-4

data_1510616
_publ_section_title
;
 A New Example of \m-3-Sulfato Coordination in a Cd(II) Complex of
 5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidine (dmtp). Characterisation and
 Biological Activity of Several Metal Complexes of dmtp Containing the
 Sulfato Anion
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              51
_journal_page_last               55
_journal_paper_doi               10.1016/0020-1693(95)04829-4
_journal_volume                  247
_journal_year                    1996
_chemical_formula_sum            'C7 H12 Cd N4 O6 S'
_chemical_formula_weight         392.6
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 116.15(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   24.652(6)
_cell_length_b                   8.269(2)
_cell_length_c                   13.319(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2437.1(11)
_diffrn_measurement_device_type  'Siemens R3m/V'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       1
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            8991
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         1.50
_exptl_absorpt_coefficient_mu    1.994
_exptl_absorpt_correction_T_max  0.721
_exptl_absorpt_correction_T_min  0.604
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.140
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1552
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.43
_refine_diff_density_min         -0.87
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.58
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_reflns         2968
_refine_ls_R_factor_gt           0.026
_refine_ls_shift/su_max          0.053
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'calc w=1/[\s^2^(Fo^2^)+0.001(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.060
_reflns_number_gt                2968
_reflns_number_total             3449
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cdabdu.cif
_cod_data_source_block           cdabdu
_cod_original_cell_volume        2437.1(10)
_cod_database_code               1510616