Metallation of 2-sulfanilamidopyrimidine (sulfadiazine). X-ray diffraction structure and solution behaviour of bis(sulfadiazinato) mercury(II) bis(dimethylsulfoxide)
Angel García-Raso; Juan J. Fiol; G. Martorell; Adela López-Zafra; Miguel Quirós; Polyhedron 16 (1997) 613–621; doi:10.1016/0277-5387(96)00317-8

data_1509262
_publ_section_title
;
 Metallation of 2-sulfanilamidopyrimidine (sulfadiazine). X-ray
 diffraction structure and solution behaviour of bis(sulfadiazinato)
 mercury(II) bis(dimethylsulfoxide)
;
_journal_name_full               Polyhedron
_journal_page_first              613
_journal_page_last               621
_journal_paper_doi               10.1016/0277-5387(96)00317-8
_journal_volume                  16
_journal_year                    1997
_chemical_formula_sum            'C24 H30 Hg N8 O6 S4'
_chemical_formula_weight         855.4
_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                 106.68(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.537(7)
_cell_length_b                   8.653(3)
_cell_length_c                   18.846(6)
_cell_measurement_temperature    298(2)
_cell_volume                     3208.1(19)
_diffrn_measurement_device_type  'Siemens Nicolet P4'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            4653
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         1.00
_exptl_absorpt_coefficient_mu    5.111
_exptl_absorpt_correction_T_max  0.702
_exptl_absorpt_correction_T_min  0.360
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.772
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       laminae
_exptl_crystal_F_000             1688
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.09
_refine_diff_density_min         -2.26
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.04
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_reflns         3551
_refine_ls_R_factor_all          0.0527
_refine_ls_R_factor_gt           0.0418
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'calc w=1/[\s^2^(Fo^2^)+0.0012(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0542
_reflns_number_gt                3551
_reflns_number_total             4267
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            hgbalear.cif
_cod_data_source_block           hgbalear
_cod_original_cell_volume        3207(3)
_cod_database_code               1509262