Coordination chemistry of mercury(ii) with 2-pyridylnitrones: monomers to polymers.
Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.; Dalton transactions (Cambridge, England : 2003) 46 (2017) 3579–3587; doi:10.1039/c7dt00050b

data_7042237
_publ_section_title
;
 Coordination chemistry of mercury(ii) with 2-pyridylnitrones: monomers to
 polymers.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3579
_journal_page_last               3587
_journal_paper_doi               10.1039/c7dt00050b
_journal_volume                  46
_journal_year                    2017
_chemical_formula_sum            'C7 H8 Cl2 Hg N2 O'
_chemical_formula_weight         407.64
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_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     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-12-29 deposited with the CCDC.
2017-02-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.362(12)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.177(5)
_cell_length_b                   12.427(4)
_cell_length_c                   7.338(3)
_cell_measurement_reflns_used    9957
_cell_measurement_temperature    110
_cell_measurement_theta_max      36.08
_cell_measurement_theta_min      2.47
_cell_volume                     1005.6(7)
_computing_cell_refinement       SAINT
_computing_data_collection       Apex2
_computing_data_reduction        SAINT
_computing_molecular_graphics    NRCVAX
_computing_publication_material  cif2tables.py
_computing_structure_refinement  SHELXL-2014
_computing_structure_solution    SHELXT
_diffrn_ambient_temperature      110
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            'Bruker Apex2'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device       '\k-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker Kappa Axis Apex2'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0368
_diffrn_reflns_av_unetI/netI     0.0270
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            34022
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         36.169
_diffrn_reflns_theta_min         2.469
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    15.795
_exptl_absorpt_correction_T_max  0.7471
_exptl_absorpt_correction_T_min  0.405
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.692
_exptl_crystal_description       needle
_exptl_crystal_F_000             744
_exptl_crystal_size_max          0.703
_exptl_crystal_size_mid          0.036
_exptl_crystal_size_min          0.033
_refine_diff_density_max         1.223
_refine_diff_density_min         -1.046
_refine_diff_density_rms         0.165
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     118
_refine_ls_number_reflns         4784
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0275
_refine_ls_R_factor_gt           0.0193
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0154P)^2^+0.6134P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0382
_refine_ls_wR_factor_ref         0.0399
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4080
_reflns_number_total             4784
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt00050b2.cif
_cod_data_source_block           b17122
_cod_depositor_comments
'Adding full bibliography for 7042234--7042240.cif.'
_cod_original_cell_volume        1005.7(7)
_cod_database_code               7042237
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.032
_shelx_estimated_absorpt_t_max   0.624
_shelx_res_checksum              3161