Structure of Dichloro(2-pyrimidinol-κN,O)mercury(II)
Quirós. Miguel; Enrique, Carmen; Acta Crystallographica, Section C: Crystal Structure Communications 49 (1993) 451–453; doi:10.1107/s010827019200742x

data_2018885
_publ_section_title
;
 Structure of Dichloro(2-pyrimidinol-\kN,O)mercury(II)
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   3
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              451
_journal_page_last               453
_journal_paper_doi               10.1107/s010827019200742x
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C4 H4 Cl2 Hg N2 O'
_chemical_formula_weight         367.6
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 92.97(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.506(3)
_cell_length_b                   4.187(1)
_cell_length_c                   17.337(12)
_cell_measurement_temperature    295(2)
_cell_volume                     761.6(6)
_diffrn_measurement_device_type  'Siemens R3m/V'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            8572
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         1.50
_exptl_absorpt_coefficient_mu    20.848
_exptl_absorpt_correction_T_max  0.1302
_exptl_absorpt_correction_T_min  0.0643
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.206
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             656
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_refine_diff_density_max         2.1
_refine_diff_density_min         -1.9
_refine_ls_extinction_coef       0.00030(8)
_refine_ls_extinction_method     Zachariasen
_refine_ls_goodness_of_fit_ref   1.40
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_reflns         1704
_refine_ls_R_factor_all          0.0805
_refine_ls_R_factor_gt           0.059
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.001
_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         0.068
_reflns_number_gt                1704
_reflns_number_total             2130
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            hg2hp.cif
_cod_data_source_block           hg2hp
_cod_database_code               2018885