Poly[bis(μ~2~-<i>O</i>,<i>O</i>'-dimethyl dithiophosphato)mercury(II)]
Tetsuzo Ito; Acta Crystallographica Section E 62 (2006) m1666–m1667; doi:10.1107/S1600536806023658

data_2209609
_publ_section_title
;
 Poly[bis(\m~2~-<i>O</i>,<i>O</i>'-dimethyl
 dithiophosphato)mercury(II)]
;
_journal_coeditor_code           LH2108
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1666
_journal_page_last               m1667
_journal_paper_doi               10.1107/S1600536806023658
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Hg (C2 H6 O2 P S2)2]'
_chemical_formula_moiety         'C4 H12 Hg O4 P2 S4'
_chemical_formula_sum            'C4 H12 Hg O4 P2 S4'
_chemical_formula_weight         514.91
_chemical_name_systematic
;
Poly[bis(\m~2~-O,O'-dimethyl dithiophosphato)mercury(II)]
;
_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'
_cell_angle_alpha                90
_cell_angle_beta                 96.56(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.930(5)
_cell_length_b                   12.043(2)
_cell_length_c                   11.8850(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      16.4
_cell_measurement_theta_min      15.0
_cell_volume                     1412.0(8)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1988)
;
_computing_data_reduction
;
CrystalStructure (Rigaku/MSC, 2002)
;
_computing_molecular_graphics    'ORTEPIII (Burnett & Johnson, 1996)'
_computing_publication_material  CrystalStructure
_computing_structure_refinement  CrystalStructure
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>,  1994)'
_diffrn_measured_fraction_theta_full 0.9985
_diffrn_measured_fraction_theta_max 0.9985
_diffrn_measurement_device_type  'Rigaku AFC-5S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.024
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            3580
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        0.47
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    11.737
_exptl_absorpt_correction_T_max  0.348
_exptl_absorpt_correction_T_min  0.182
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North <i>et al.</i>,  1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.422
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             968.00
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.76
_refine_diff_density_min         -1.31
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.459
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     148
_refine_ls_number_reflns         2372
_refine_ls_R_factor_gt           0.0310
_refine_ls_shift/su_max          0.0020
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(Fo)'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.0330
_reflns_number_gt                2372
_reflns_number_total             3224
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            lh2108.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2209609
_cod_database_fobs_code          2209609